data_2da4_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 2da4 _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 ' 15' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.905 0.384 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ASP . 40.9 m -112.01 152.62 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' SER . 10.2 m-20 -36.25 -47.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.26 -51.44 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -55.97 -49.38 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.6 -47.41 83.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.82 -44.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.8 m -67.6 -54.43 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.23 -61.87 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -48.48 -32.01 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.3 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 9.7 t-105 -57.0 -25.9 59.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -8.72 29.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -112.08 17.32 19.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.0 33.15 27.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.69 48.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.48 HG21 ' CZ2' ' A' ' 27' ' ' TRP . 71.1 p -100.04 -31.47 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -72.57 157.12 38.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 mt -106.95 -35.35 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.5 172.47 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 m -50.1 -33.46 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 38' ' ' CYS . 4.7 p -44.01 -42.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.431 ' N ' HG11 ' A' ' 37' ' ' VAL . 13.3 m -104.64 -32.57 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -39.43 -49.92 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -41.22 -45.7 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.86 -41.62 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 76.8 mt -54.81 -42.5 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -53.36 -22.79 8.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.92 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p -51.01 -27.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.18 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 48' ' ' GLU . 3.5 t -73.3 -22.37 60.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 47' ' ' THR . 10.1 tp10 -77.96 -41.33 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.63 -12.86 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 67.87 44.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.9 m -127.74 149.28 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.72 122.54 7.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.3 p -40.57 -41.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.97 -48.31 67.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.0 mt -48.08 -37.82 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.2 t -78.5 -59.74 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -43.12 -41.27 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.3 m -67.68 -41.99 82.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.94 -39.63 71.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.95 -64.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.03 -40.49 58.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -56.19 -58.37 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 54.9 ttt180 -47.73 -56.69 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' ARG . 38.5 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -106.66 163.48 12.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -48.67 -44.64 37.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -59.92 -53.35 58.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.05 -59.88 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -41.7 -46.95 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.22 -39.85 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 m -67.41 -57.26 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.11 -59.21 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -47.46 -41.59 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -48.68 -45.75 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.83 -38.36 86.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.464 ' CH2' HG22 ' A' ' 32' ' ' THR . 5.9 t-105 -54.45 -26.14 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.56 -8.73 15.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -115.52 18.91 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 44.81 11.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -84.06 34.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.464 HG22 ' CH2' ' A' ' 27' ' ' TRP . 34.2 p -89.56 -32.89 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -71.99 145.44 48.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.3 mt -99.6 -29.53 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.18 161.89 0.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 2.0 t -41.58 -37.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 38' ' ' CYS . 8.7 p -40.08 -43.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.439 ' N ' HG11 ' A' ' 37' ' ' VAL . 33.6 m -109.96 -28.76 8.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 13.6 ttm180 -38.95 -42.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -55.5 -43.31 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' CYS . 5.7 mmpt? -65.54 -47.23 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.457 HD13 ' CD1' ' A' ' 60' ' ' ILE . 62.0 mt -53.53 -36.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -58.33 -21.31 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.38 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 p -47.24 -26.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.77 -40.36 25.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 48' ' ' GLU . 3.0 t -75.31 -22.27 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' HG21 ' A' ' 47' ' ' THR . 10.0 tp10 -80.31 -39.31 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.1 mt -88.67 -6.62 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m120 66.38 39.5 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.1 m -121.25 149.95 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.27 124.26 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.7 p -39.91 -33.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.0 -48.21 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -49.14 -42.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -73.33 -56.99 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -43.67 -38.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.1 m -75.85 -42.96 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -53.66 -44.69 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CD1' HD13 ' A' ' 42' ' ' ILE . 92.1 mt -56.65 -58.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.91 -35.66 32.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -72.82 -53.77 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -47.73 -51.14 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 2.0 m -105.36 150.32 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -34.54 -42.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -59.99 -58.85 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.78 -58.76 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -41.96 -49.65 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.15 -43.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 m -66.68 -54.02 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.3 mt -54.27 -50.36 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -56.03 -48.6 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -45.31 -42.31 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.47 -33.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.469 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 6.2 t-105 -57.75 -24.91 59.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.22 -4.3 21.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -116.17 15.88 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.13 33.88 11.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.63 32.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.469 ' HB ' ' CH2' ' A' ' 27' ' ' TRP . 2.5 t -111.99 52.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -160.39 156.2 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.6 mt -94.13 -35.19 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.67 140.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.474 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -44.79 -27.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.8 m -49.66 -38.47 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.2 -23.16 15.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -47.66 -42.49 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -53.75 -47.02 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -64.42 -40.44 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.424 HD11 ' CG ' ' A' ' 57' ' ' ARG . 53.0 mt -57.28 -39.49 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -55.08 -19.63 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.98 -63.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.0 p -49.42 -27.56 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.45 -46.66 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 48' ' ' GLU . 4.1 t -70.4 -20.55 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' N ' HG21 ' A' ' 47' ' ' THR . 8.4 tp10 -79.6 -38.16 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.4 mt -90.34 -7.05 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 62.1 42.42 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -123.61 148.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.38 123.46 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -44.99 -42.64 8.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.94 -41.01 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.0 mt -52.89 -41.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.31 -60.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' CG ' HD11 ' A' ' 42' ' ' ILE . 50.0 mtp180 -47.38 -36.36 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.3 m -74.83 -41.02 60.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -56.4 -38.24 71.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.13 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -46.01 -45.39 14.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -61.86 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' ARG . 17.1 mmt180 -62.1 -55.12 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' ARG . 61.9 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.358 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.6 t -107.83 143.66 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.9 OUTLIER -34.74 -46.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.44 -51.75 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.25 -51.91 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 36.3 mt -46.09 -52.2 12.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.02 -43.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.6 m -64.72 -50.25 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.32 -57.8 11.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.5 -37.12 16.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -52.79 -52.16 57.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 35.5 m-85 -65.47 -33.86 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.538 ' CZ3' HG23 ' A' ' 32' ' ' THR . 9.2 t-105 -56.1 -28.57 58.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.95 -8.85 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.56 17.3 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.12 33.23 29.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -76.31 48.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.538 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 50.7 p -114.79 37.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.9 m -142.94 152.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.47 -30.86 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.24 169.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -56.16 -33.21 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -45.53 -38.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -107.9 -30.79 8.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -42.02 -47.13 4.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -47.36 -45.07 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -71.68 -39.27 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.46 -37.92 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -56.77 -20.83 24.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.49 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.443 ' HB ' ' CD2' ' A' ' 26' ' ' TYR . 10.7 p -46.39 -23.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.56 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 48' ' ' GLU . 5.8 t -75.07 -22.43 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' N ' HG21 ' A' ' 47' ' ' THR . 8.5 tp10 -81.21 -40.91 23.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.95 -8.72 57.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.24 42.65 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.43 145.66 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -53.6 134.12 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.7 p -39.9 -39.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -57.08 -42.33 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' ASP . 42.2 mm -49.93 -36.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 59' ' ' TRP . 93.7 t -86.3 -64.63 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 2.5 mtp-105 -39.63 -35.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.5 m -74.15 -38.69 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.473 ' N ' ' O ' ' A' ' 56' ' ' VAL . 68.7 t90 -61.85 -37.38 84.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.25 -63.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.22 -43.5 25.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -65.63 -59.53 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 14.6 tpp180 -45.06 -54.0 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.6 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 m -74.41 150.78 39.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.36 -55.83 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -51.26 -52.18 47.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' LEU . 13.2 m-20 -59.71 -62.2 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.6 mt -36.69 -52.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.96 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.0 m -56.63 -48.63 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.52 -61.28 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -48.33 -34.54 10.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -52.46 -48.41 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -69.3 -34.74 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.533 ' CZ3' HG21 ' A' ' 32' ' ' THR . 4.9 t-105 -55.7 -28.04 53.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -11.13 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -108.87 19.22 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.81 34.78 26.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -78.89 46.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.533 HG21 ' CZ3' ' A' ' 27' ' ' TRP . 56.9 p -114.1 37.95 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -138.44 152.11 48.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.61 -25.63 15.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.75 173.58 0.31 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -61.01 -31.12 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.915 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -46.46 -32.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -109.85 -33.8 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -38.05 -54.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -45.57 -43.84 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -68.74 -48.55 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.2 mt -55.07 -35.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.24 -21.78 49.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.88 -62.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.0 p -47.82 -26.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.43 -44.65 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 48' ' ' GLU . 5.1 t -73.64 -21.47 60.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' HG21 ' A' ' 47' ' ' THR . 9.3 tp10 -77.13 -38.12 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.73 -7.11 57.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.57 39.96 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.09 169.38 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -69.41 117.01 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 m -41.23 -48.06 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -42.14 -44.0 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.5 mt -51.75 -42.51 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.41 -58.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -45.58 -45.14 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.7 m -68.13 -35.35 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -64.13 -39.82 94.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.85 -60.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.3 -41.58 62.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -56.11 -58.73 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.5 ttm180 -48.41 -61.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' ARG . 57.6 mtp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -87.3 157.3 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -63.01 -58.92 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.56 -47.84 75.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.5 mt -52.68 -48.39 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.33 -55.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.436 ' CG2' HG22 ' A' ' 45' ' ' VAL . 88.5 m -53.23 -52.11 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.39 -60.41 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -45.12 -35.69 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -53.75 -51.93 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.3 m-85 -68.82 -32.51 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.464 ' CZ2' HG21 ' A' ' 32' ' ' THR . 18.3 t-105 -56.53 -26.1 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.25 -12.73 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 18.4 t-20 -106.04 22.21 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.66 33.21 43.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.41 48.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.464 HG21 ' CZ2' ' A' ' 27' ' ' TRP . 69.5 p -105.48 -34.47 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -78.47 141.72 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLY . 5.9 mt -83.52 -28.59 28.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.25 152.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -51.13 -24.13 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 38' ' ' CYS . 6.7 p -52.87 -32.29 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.452 ' N ' HG12 ' A' ' 37' ' ' VAL . 2.0 m -105.9 -31.95 8.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' CYS . 19.2 ttm180 -36.94 -43.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -45.27 -54.21 7.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -62.12 -43.9 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.4 mt -53.67 -43.93 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.67 -15.33 11.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.46 -57.64 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.436 HG22 ' CG2' ' A' ' 22' ' ' THR . 11.9 p -54.69 -24.98 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.81 -42.51 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 48' ' ' GLU . 5.2 t -76.21 -21.73 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 47' ' ' THR . 15.3 tp10 -77.28 -37.55 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -89.98 -4.69 57.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 62.63 41.15 9.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -124.23 176.16 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 120.68 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.6 m -39.43 -46.34 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -42.79 -45.83 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -55.25 -40.63 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.1 t -73.79 -58.67 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -47.98 -38.01 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.2 m -73.2 -38.61 66.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 63' ' ' ARG . 46.3 t90 -61.03 -37.56 83.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.62 -63.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.47 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -51.7 -48.38 50.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -58.91 -41.56 87.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 28.4 ttt180 -59.71 -55.94 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.47 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 29.6 mtm105 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -76.23 147.24 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -38.72 -38.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -70.67 -51.13 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.99 -52.56 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 20.4 mt -48.7 -54.43 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.34 -43.47 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.1 m -67.41 -51.85 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.46 -51.96 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -55.84 -45.65 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -46.95 -44.46 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -72.59 -35.99 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.465 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 2.7 t-105 -53.19 -32.33 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.47 -21.19 35.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -97.32 26.82 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.1 18.95 76.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 ttp -56.39 -24.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 4.3 t -42.51 -23.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' MET . 1.3 t -79.54 155.83 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLY . 15.2 mt -107.38 -30.93 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.4 147.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 64.6 m -41.48 -42.93 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p -39.49 -40.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.6 m -96.44 -25.29 15.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 24.3 ttm180 -43.81 -38.56 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.14 -52.66 64.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -56.72 -43.44 80.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 40.6 mt -52.48 -37.3 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.92 -23.8 55.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.97 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.8 p -49.3 -24.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.57 -45.77 20.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 48' ' ' GLU . 5.9 t -71.97 -22.25 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 47' ' ' THR . 7.7 tp10 -78.06 -36.35 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.5 mt -94.07 -7.58 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 62.34 44.6 7.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.93 143.59 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.446 ' N ' HD12 ' A' ' 55' ' ' ILE . 6.5 t70 -44.6 126.26 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.1 p -46.05 -40.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -56.03 -42.63 76.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 52' ' ' ASP . 31.1 mt -52.24 -41.57 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.76 -56.8 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -48.3 -40.57 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -71.48 -38.14 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -63.26 -45.64 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 32' ' ' THR . 99.1 mt -47.18 -64.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.461 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -55.69 -33.93 60.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.64 -52.75 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -58.64 -43.11 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.461 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 59.2 mtm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.446 ' OG ' ' CZ ' ' A' ' 18' ' ' ARG . 13.3 t -94.36 149.34 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.48 -46.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' CZ ' ' OG ' ' A' ' 16' ' ' SER . 10.7 ptt-85 -56.12 -47.63 77.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.6 m-20 -63.34 -63.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ASP . 30.5 mt -35.6 -45.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.81 -48.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.7 m -59.46 -58.6 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' CD2' HG23 ' A' ' 45' ' ' VAL . 11.7 mt -55.23 -62.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -43.04 -38.06 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -51.79 -51.6 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.69 -33.4 75.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.438 ' CH2' HG22 ' A' ' 32' ' ' THR . 34.9 t-105 -54.84 -30.91 58.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -15.99 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -105.13 25.62 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.36 61.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.0 ttp -78.15 46.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.438 HG22 ' CH2' ' A' ' 27' ' ' TRP . 72.1 p -94.48 -38.11 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.38 156.02 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.14 -34.62 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.99 177.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' VAL . 3.3 m -49.58 -42.42 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.837 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 16.4 m -36.12 -38.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.65 -35.85 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -37.17 -45.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -46.03 -45.58 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -74.71 -39.15 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 60' ' ' ILE . 52.7 mt -59.62 -36.97 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.6 -25.17 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.67 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 ' CD2' ' A' ' 23' ' ' LEU . 9.4 p -47.67 -24.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.6 -43.31 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 48' ' ' GLU . 6.0 t -75.07 -22.37 58.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 47' ' ' THR . 11.7 tp10 -78.04 -40.85 37.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.05 -4.67 59.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m120 61.57 43.89 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.46 147.69 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 130.52 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 p -38.1 -39.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.64 -48.9 74.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mm -42.38 -44.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' TRP . 70.5 t -77.9 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' VAL . 65.6 mtm180 -37.96 -42.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.6 m -65.6 -42.07 92.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 76.0 t90 -56.7 -43.31 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.449 ' CD1' HD11 ' A' ' 42' ' ' ILE . 83.7 mt -56.13 -61.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.48 78.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -50.31 -48.94 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.54 -44.78 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.4 t -112.1 150.1 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 5.2 m-20 -36.74 -50.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -55.39 -52.11 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.65 -53.91 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -50.85 -51.0 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 m -58.64 -47.39 84.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.29 -57.29 13.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -49.78 -39.16 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -52.79 -48.57 66.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.93 -37.13 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.442 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 3.7 t-105 -50.91 -34.98 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -26.88 26.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 25.2 t-20 -93.36 31.08 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.9 70.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.94 -28.59 66.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 9.3 t -42.46 -28.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -87.66 146.37 25.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' GLY . 6.9 mt -93.53 -74.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.4 -129.94 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 m -123.9 -39.83 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.19 -39.48 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.07 -35.48 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -38.8 -48.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.44 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -51.56 -48.2 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.3 mt -53.15 -36.58 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -56.68 -25.1 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.21 -64.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.8 p -46.23 -27.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.27 -44.33 46.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 48' ' ' GLU . 6.1 t -74.09 -22.59 59.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 47' ' ' THR . 18.1 tp10 -77.63 -39.25 45.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.8 mt -88.79 -1.37 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 63.18 40.7 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.17 143.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -53.11 136.78 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.52 -45.88 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.43 -41.22 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.5 mm -52.13 -40.53 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' TRP . 72.7 t -85.21 -63.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' VAL . 43.2 mtp180 -37.33 -38.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 48.8 m -73.53 -42.95 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 27.5 t90 -59.94 -38.82 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 32' ' ' THR . 81.5 mt -54.09 -64.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.08 -44.34 50.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -52.1 -43.84 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -64.03 -45.51 88.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 t -106.42 157.64 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.97 -45.35 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -63.91 -48.25 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.59 -54.96 41.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' LEU . 34.8 mt -52.48 -49.67 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.88 -36.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.3 m -72.04 -39.7 68.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 12.1 mt -64.17 -66.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -45.02 -43.02 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -42.64 -49.18 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.03 -35.81 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.574 ' CZ2' ' CG2' ' A' ' 32' ' ' THR . 4.8 t-105 -54.84 -29.48 55.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -65.6 -7.09 13.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -112.44 13.92 20.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 32.68 12.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -79.67 44.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.574 ' CG2' ' CZ2' ' A' ' 27' ' ' TRP . 58.5 p -111.75 53.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.71 159.82 43.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 57' ' ' ARG . 9.5 mt -108.08 -26.39 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.03 -179.26 3.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 m -57.27 -30.5 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 m -47.75 -37.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 m -108.56 -37.51 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.65 -50.38 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.07 -47.82 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -71.75 -44.6 63.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 60' ' ' ILE . 56.9 mt -51.18 -43.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.99 -23.94 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.25 -62.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.86 -27.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.56 24.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 48' ' ' GLU . 5.0 t -71.63 -21.24 61.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' HG22 ' A' ' 47' ' ' THR . 10.8 tp10 -82.15 -33.68 29.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.0 mt -95.62 -2.13 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.63 44.38 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.79 153.83 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -57.85 123.92 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.1 p -45.14 -28.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -66.19 -43.2 87.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -50.91 -40.47 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.8 t -72.77 -55.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.461 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 7.7 ttp180 -44.88 -43.65 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.1 m -70.32 -40.54 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.555 ' CH2' ' HB3' ' A' ' 23' ' ' LEU . 80.2 t90 -55.09 -40.16 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CD1' HD13 ' A' ' 42' ' ' ILE . 95.2 mt -62.77 -62.27 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.64 -40.46 55.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.5 -50.98 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -54.44 -53.72 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 m -102.94 156.19 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.4 -55.43 4.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -48.03 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 20' ' ' LEU . 8.3 m-20 -58.32 -65.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' ASP . 14.7 mt -34.42 -51.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.85 -51.18 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 m -57.17 -54.28 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.42 -58.92 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -51.05 -33.42 25.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -57.84 -46.4 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -68.12 -32.03 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.45 ' CH2' HG23 ' A' ' 32' ' ' THR . 8.2 t-105 -57.0 -27.38 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.72 -8.0 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -111.79 18.91 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.87 33.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.36 48.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.45 HG23 ' CH2' ' A' ' 27' ' ' TRP . 64.2 p -106.8 -31.68 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -77.73 140.01 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -83.33 -31.79 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.55 158.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.411 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 3.2 m -47.44 -39.35 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 38' ' ' CYS . 4.3 p -37.13 -34.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' LYS . 70.9 m -106.72 -35.12 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' CYS . 49.0 ttt180 -37.46 -39.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -58.52 -45.12 89.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . 20.8 mmmt -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.6 mt -51.32 -44.99 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.0 -22.05 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.38 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.405 ' CG1' HG12 ' A' ' 56' ' ' VAL . 8.1 p -48.54 -27.18 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.56 -45.53 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.6 t -72.15 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 47' ' ' THR . 10.3 tp10 -77.64 -31.7 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -96.06 -5.8 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 60.48 42.7 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 m -124.91 169.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -71.34 121.11 17.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 m -39.93 -46.04 1.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -44.85 -53.02 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.8 mt -47.47 -39.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' CG1' ' A' ' 45' ' ' VAL . 74.9 t -73.33 -59.93 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -48.97 -36.95 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.8 m -73.28 -37.94 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.84 -34.82 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.21 -60.43 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.12 -41.28 45.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.06 -49.02 79.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -53.63 -58.81 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.853 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -73.68 140.69 46.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.31 -48.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -58.59 -53.41 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.38 -51.37 65.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 21.6 mt -50.3 -52.71 34.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.39 -47.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -62.58 -55.41 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.448 ' CD2' HG13 ' A' ' 56' ' ' VAL . 11.3 mt -53.24 -60.87 2.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -48.4 -37.51 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -54.56 -46.02 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -69.17 -36.55 77.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.559 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 5.0 t-105 -52.03 -32.68 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -25.75 25.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -94.33 27.91 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.65 73.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.415 ' CE ' HG12 ' A' ' 60' ' ' ILE . 3.5 ttp -54.46 -22.72 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.559 ' HB ' ' CH2' ' A' ' 27' ' ' TRP . 3.1 t -43.53 -28.79 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -68.92 145.53 53.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' GLY . 12.9 mt -97.84 -37.62 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.34 150.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 15.6 t -41.5 -46.13 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.4 m -34.09 -38.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' SER . 2.1 m -97.84 -34.43 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.6 ttp85 -38.85 -39.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.51 -45.01 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 52.0 mt -51.02 -41.95 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.0 -26.35 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.31 -61.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.55 -23.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.91 -44.35 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.9 t -72.1 -22.12 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.452 ' N ' HG23 ' A' ' 47' ' ' THR . 12.8 tp10 -77.79 -39.74 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.37 -5.38 58.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 t30 66.22 39.52 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -127.06 140.18 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.42 129.99 16.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -42.25 -53.15 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -41.82 -45.14 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.95 -40.05 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 HG13 ' CD2' ' A' ' 23' ' ' LEU . 89.9 t -77.83 -60.81 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.418 ' CG ' ' CD2' ' A' ' 34' ' ' LEU . 1.6 ttt-85 -44.3 -36.71 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.4 m -73.92 -43.76 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -59.74 -39.52 85.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.415 HG12 ' CE ' ' A' ' 31' ' ' MET . 90.1 mt -51.45 -63.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.15 -43.13 56.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -45.61 -44.3 12.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -63.66 -55.7 21.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' OG1' ' A' ' 32' ' ' THR . 9.9 mtt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.857 0.361 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . 74.3 m -110.49 155.36 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' SER . 23.5 m-20 -37.58 -43.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -60.82 -55.53 31.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -56.37 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.4 mt -41.97 -51.27 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.04 -52.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.5 m -56.03 -50.26 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -59.92 -62.17 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -44.83 -33.99 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.9 -52.37 63.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 33.9 m-85 -66.02 -33.54 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.499 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 6.8 t-105 -55.65 -30.36 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.79 -11.23 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 10.9 t-20 -107.26 21.36 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.83 45.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.6 ttp -75.96 48.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.7 p -114.95 44.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -150.54 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 mt -99.35 -34.07 10.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.41 171.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 p -56.54 -34.94 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -44.39 -33.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 m -109.9 -31.73 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -42.07 -51.18 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -39.63 -44.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -76.03 -42.81 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.7 -39.62 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -59.0 -16.16 16.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.01 -61.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.553 ' HB ' ' CD2' ' A' ' 26' ' ' TYR . 12.0 p -49.25 -26.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.08 -44.2 26.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.0 t -73.91 -22.24 59.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 47' ' ' THR . 9.2 tp10 -79.04 -41.69 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -87.56 -13.53 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.18 44.26 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.23 147.91 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.93 120.45 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 p -40.01 -36.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -58.05 -45.22 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.0 mt -49.76 -38.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.05 -62.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -43.55 -42.98 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 m -70.4 -38.22 74.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -58.33 -43.08 88.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.1 mt -55.64 -62.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.48 -33.9 33.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -67.37 -66.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.499 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 16.3 ttt85 -39.09 -46.96 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 t -87.09 158.1 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.28 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -60.51 -58.45 8.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.61 -52.67 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -46.25 -51.32 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.79 -51.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.0 m -55.28 -56.72 16.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.87 -62.76 1.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -42.74 -32.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -55.4 -55.86 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.97 -33.47 75.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.427 ' CZ3' HG21 ' A' ' 32' ' ' THR . 7.4 t-105 -55.09 -28.94 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.87 -15.35 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -106.11 22.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.1 38.26 35.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.5 ttp -78.91 45.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.427 HG21 ' CZ3' ' A' ' 27' ' ' TRP . 34.4 p -111.21 48.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.36 160.08 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -102.25 -40.58 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.5 170.95 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 37' ' ' VAL . 6.2 m -44.06 -42.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 38' ' ' CYS . 7.7 p -35.93 -38.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.445 ' N ' HG12 ' A' ' 37' ' ' VAL . 29.2 m -109.42 -40.1 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' CYS . 2.7 tpp85 -37.12 -43.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.4 -52.54 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -65.63 -43.53 89.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 57' ' ' ARG . 41.4 mt -53.5 -41.9 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.39 -23.81 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.31 -63.03 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.424 ' CG1' HG12 ' A' ' 56' ' ' VAL . 7.7 p -48.92 -25.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -46.53 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.9 t -70.34 -22.48 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 47' ' ' THR . 9.0 tp10 -77.14 -37.72 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -92.09 -11.44 35.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 62.28 44.78 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.16 156.05 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.38 118.02 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.9 p -39.93 -38.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -54.7 -44.47 73.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 88.5 mt -50.16 -42.15 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG12 ' CG1' ' A' ' 45' ' ' VAL . 71.6 t -76.76 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG2' ' CD1' ' A' ' 42' ' ' ILE . 42.3 mtp180 -40.43 -44.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 m -67.53 -39.54 85.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -56.24 -40.7 74.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.27 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 64' ' ' ARG . . . -52.47 -41.27 55.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.39 -55.99 25.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' ARG . 13.9 ttt180 -47.86 -63.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 63' ' ' ARG . 83.9 mtm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 5.6 t -72.03 148.98 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -37.6 -56.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -51.22 -47.13 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -60.23 -51.9 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 37.1 mt -54.75 -49.24 71.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.72 -55.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.2 m -55.56 -48.63 74.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.38 -62.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.09 -37.59 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -48.26 -54.18 14.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -68.04 -33.89 75.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.505 ' CZ3' HG21 ' A' ' 32' ' ' THR . 8.0 t-105 -54.56 -31.77 57.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.62 -15.4 39.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.484 ' ND2' ' HZ1' ' A' ' 41' ' ' LYS . 12.7 t-20 -104.21 23.22 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.01 32.95 51.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.68 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.505 HG21 ' CZ3' ' A' ' 27' ' ' TRP . 50.8 p -116.36 40.46 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.4 m -140.19 145.1 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CD2' ' HG2' ' A' ' 57' ' ' ARG . 9.5 mt -89.81 -35.19 15.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.54 172.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 17.6 p -59.03 -35.84 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.57 -36.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.4 m -109.78 -33.47 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 8.5 ttt-85 -37.29 -53.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.32 -43.96 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HZ1' ' ND2' ' A' ' 29' ' ' ASN . 8.0 mmmm -71.35 -44.18 65.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.4 mt -55.73 -37.43 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.7 -26.49 45.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.57 -63.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -47.49 -27.21 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.24 -45.19 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 48' ' ' GLU . 6.2 t -73.34 -22.51 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 47' ' ' THR . 20.9 tp10 -76.67 -40.02 50.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.22 -4.19 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 68.84 36.84 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -124.38 150.94 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' CYS . 31.1 t0 -63.99 133.08 52.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' ASP . 62.4 m -34.42 -49.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -43.73 -58.62 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' GLU . 49.8 mm -35.39 -37.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.4 t -88.2 -61.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.472 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 1.2 ttt-85 -38.83 -41.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.6 m -75.74 -43.87 44.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CZ2' ' HG3' ' A' ' 63' ' ' ARG . 47.2 t90 -54.66 -38.08 66.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.41 -61.29 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.03 -42.71 31.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -63.12 -44.09 96.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 9.8 mmp_? -61.51 -54.94 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' ARG . 48.4 mtp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ASP . 50.9 m -113.12 149.11 34.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' SER . 27.6 t70 -36.55 -43.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -61.37 -60.59 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.62 -47.61 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 21' ' ' ALA . 44.9 mt -58.14 -52.05 67.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.71 -46.52 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.7 m -62.21 -49.33 76.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.48 -60.76 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -45.67 -37.78 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -52.52 -54.55 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 91.0 m-85 -64.46 -36.65 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.534 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 2.8 t-105 -57.9 -25.24 60.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -80.24 -3.71 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -111.88 16.17 20.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.04 18.45 43.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.454 ' HE2' ' CD1' ' A' ' 60' ' ' ILE . 6.6 ttp -80.72 42.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 43.0 p -87.38 -40.84 14.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -95.97 172.64 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' GLY . 8.1 mt -109.71 -68.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.88 -118.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 38' ' ' CYS . 7.3 p -49.12 -40.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.43 ' N ' HG11 ' A' ' 37' ' ' VAL . 63.1 m -80.1 -38.79 30.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 ttp85 -39.47 -42.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.06 -51.53 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.42 -46.69 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.3 mt -52.26 -37.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.21 -26.62 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.32 -59.64 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.571 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 12.3 p -53.77 -23.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.31 -44.04 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.3 t -73.89 -22.55 59.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' HG23 ' A' ' 47' ' ' THR . 11.4 tp10 -79.16 -40.94 29.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -89.21 -10.32 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.67 44.72 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.3 m -124.96 144.47 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 55' ' ' ILE . 13.5 t0 -51.59 133.58 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -38.62 -45.22 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -52.57 -42.56 64.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' ASP . 29.1 mm -49.66 -37.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.3 t -87.43 -69.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -39.94 -35.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.1 m -76.51 -46.18 27.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 48.7 t90 -53.25 -39.57 63.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.1 mt -59.71 -62.7 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.62 -46.63 81.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -51.45 -46.69 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -66.18 -60.51 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.867 0.365 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -72.03 174.1 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.03 -42.72 29.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -64.42 -57.26 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.17 -57.35 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.8 mt -48.06 -50.53 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.12 -46.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.7 m -58.95 -54.71 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.33 -46.57 88.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' TRP . 53.1 mtpt -55.01 -51.0 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -39.94 -46.37 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -71.79 -35.03 69.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.508 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 3.5 t-105 -54.88 -26.67 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -18.91 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -103.04 26.06 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.4 33.88 61.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -75.18 5.17 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.432 ' HB ' ' CZ2' ' A' ' 27' ' ' TRP . 4.3 t -81.74 39.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -142.82 147.6 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' GLY . 11.4 mt -87.18 -33.15 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.33 143.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.1 t -37.88 -44.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.844 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' SER . 27.6 m -34.06 -43.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.422 ' N ' HG21 ' A' ' 37' ' ' VAL . 61.8 m -84.57 -37.25 21.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' SER . 32.9 ttp180 -37.27 -44.95 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -56.67 -53.03 62.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.19 -45.31 93.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.4 mt -50.43 -40.21 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -54.06 -26.49 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.43 -63.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.446 ' CG1' HG11 ' A' ' 56' ' ' VAL . 9.6 p -49.85 -27.5 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.71 -45.6 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 48' ' ' GLU . 5.5 t -72.46 -22.09 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' HG21 ' A' ' 47' ' ' THR . 9.5 tp10 -78.81 -40.7 32.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.17 -6.85 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.68 46.17 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.1 m -125.51 147.84 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.91 123.8 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -42.35 -36.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.35 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.31 -41.56 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.446 HG11 ' CG1' ' A' ' 45' ' ' VAL . 74.3 t -71.4 -58.91 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -47.43 -37.3 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.3 m -71.98 -36.82 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -59.06 -40.23 84.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.35 -64.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.91 38.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.8 -56.36 23.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.55 -53.87 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.904 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -83.63 147.37 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -41.06 -51.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -52.52 -55.94 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -58.18 9.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ALA . 14.3 mt -40.14 -51.64 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.06 -52.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -57.94 -57.46 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD23 ' CG2' ' A' ' 45' ' ' VAL . 13.1 mt -55.7 -59.66 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.62 -44.91 9.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.95 -45.46 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 84.4 m-85 -69.5 -37.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.1 -19.37 43.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.69 -3.92 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -113.15 16.08 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.5 29.19 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.435 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.9 ttp -83.01 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.488 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 38.3 p -83.61 -35.37 24.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -100.91 174.15 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 35' ' ' GLY . 10.7 mt -105.46 -71.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.03 -133.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -118.97 -41.48 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.916 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.78 -29.43 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.5 m -99.74 -32.55 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -41.37 -43.93 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.97 -54.98 27.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HE3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -50.66 -48.53 58.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.9 mt -53.88 -42.88 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -54.4 -20.73 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.55 -63.61 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.563 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 11.6 p -47.88 -27.79 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.76 -47.05 27.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 48' ' ' GLU . 5.6 t -71.75 -22.24 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' N ' HG21 ' A' ' 47' ' ' THR . 10.7 tp10 -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.0 mt -92.59 -4.13 53.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 56.48 46.44 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.15 143.42 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.11 121.99 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.3 p -40.26 -40.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.24 -45.68 68.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.9 mt -50.75 -43.5 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.45 HG13 ' CG1' ' A' ' 45' ' ' VAL . 85.8 t -74.75 -64.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -43.25 -38.71 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.3 m -72.46 -38.19 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -59.4 -39.17 82.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.3 mt -61.14 -64.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.65 -42.21 20.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -62.85 -46.86 85.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -54.7 -59.31 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 9.6 mtp-105 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -90.21 162.1 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.26 -43.82 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -62.15 -53.2 58.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.18 -47.53 80.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.1 mt -57.25 -50.66 72.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.07 -49.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.448 ' CG2' HG22 ' A' ' 45' ' ' VAL . 26.0 m -59.52 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.445 HD21 ' CE3' ' A' ' 59' ' ' TRP . 14.6 mt -53.38 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -44.19 -42.88 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -47.57 -55.03 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.451 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 97.1 m-85 -65.63 -37.1 85.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.471 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 13.6 t-105 -57.75 -26.18 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.82 -3.77 52.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -110.95 18.1 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.9 15.34 56.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.433 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.3 ttp -79.47 44.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 30.8 p -88.21 -41.05 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -97.64 173.73 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.9 mt -108.39 -68.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.8 -116.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -129.28 -50.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 38' ' ' CYS . 7.6 p -47.17 -42.28 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.455 ' N ' HG11 ' A' ' 37' ' ' VAL . 64.5 m -77.22 -39.57 48.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' CYS . 13.9 ttp85 -37.98 -43.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -55.44 -51.84 65.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -56.47 -48.7 76.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.8 mt -51.4 -41.42 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.38 -22.56 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.92 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.451 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 8.1 p -51.88 -24.52 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.82 -43.41 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.9 t -74.74 -22.42 58.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' N ' HG23 ' A' ' 47' ' ' THR . 17.0 tp10 -80.8 -37.6 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.8 mt -91.06 -4.68 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 m120 60.71 44.73 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.03 145.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -53.43 133.26 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.7 m -38.93 -48.38 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -43.51 -43.48 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -49.78 -41.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' TRP . 78.9 t -83.27 -67.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -38.84 -41.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.9 m -71.52 -37.94 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.49 ' CZ2' ' HD2' ' A' ' 63' ' ' ARG . 37.5 t90 -62.76 -43.9 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' THR . 81.7 mt -52.48 -59.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.66 -42.94 59.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -59.7 -47.05 87.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 45.5 ttt85 -54.47 -52.97 60.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 t -95.04 151.98 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -45.56 -42.44 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 3.4 ptp180 -66.07 -36.18 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 75.6 m-20 -72.25 -56.76 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.43 -47.06 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.25 -51.48 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.8 m -56.24 -48.22 76.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -41.87 -47.88 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.81 -37.59 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 3.2 t-105 -53.22 -30.26 36.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -57.5 -21.99 41.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -100.72 27.32 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.67 74.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttp -71.33 0.63 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -81.82 39.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -139.13 130.96 27.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' GLY . 12.7 mt -73.12 -33.69 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.42 134.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ARG . 9.4 t -40.78 -44.47 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 38' ' ' CYS . 7.5 p -36.6 -41.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.421 ' N ' HG12 ' A' ' 37' ' ' VAL . 8.2 m -88.83 -31.96 18.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' SER . 37.1 ttp180 -40.14 -38.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.97 -49.34 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.17 -46.71 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.2 mt -52.07 -37.72 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.17 -26.78 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.63 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.45 -26.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.14 -46.12 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 48' ' ' GLU . 5.4 t -72.14 -22.19 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.454 ' N ' HG21 ' A' ' 47' ' ' THR . 11.2 tp10 -80.29 -36.9 33.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.31 -6.59 52.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 63.61 41.88 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.47 147.58 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -48.31 126.0 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 p -48.85 -24.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -70.32 -43.11 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.0 mt -51.69 -36.74 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.7 t -75.64 -57.17 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -49.25 -38.31 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -72.45 -38.23 68.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -57.34 -39.39 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.35 -61.59 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.15 -37.66 17.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -67.11 -59.59 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -42.74 -56.05 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -127.56 176.02 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -102.46 -49.42 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.17 88.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -92.56 86.5 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -142.77 143.78 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.97 -129.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.21 156.67 12.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -88.76 153.06 21.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -161.6 156.9 23.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.19 -50.28 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -124.7 107.3 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.6 p -102.3 115.16 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.2 151.44 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -89.12 161.41 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ASP . 40.9 m -112.01 152.62 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' SER . 10.2 m-20 -36.25 -47.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.26 -51.44 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -55.97 -49.38 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.6 -47.41 83.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.82 -44.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 94.8 m -67.6 -54.43 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -55.23 -61.87 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' C ' ' HD3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -48.48 -32.01 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.3 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.563 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 9.7 t-105 -57.0 -25.9 59.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -8.72 29.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -112.08 17.32 19.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.0 33.15 27.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.69 48.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.48 HG21 ' CZ2' ' A' ' 27' ' ' TRP . 71.1 p -100.04 -31.47 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -72.57 157.12 38.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 14.8 mt -106.95 -35.35 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.5 172.47 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 m -50.1 -33.46 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.431 HG11 ' N ' ' A' ' 38' ' ' CYS . 4.7 p -44.01 -42.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.431 ' N ' HG11 ' A' ' 37' ' ' VAL . 13.3 m -104.64 -32.57 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 14.9 ttt180 -39.43 -49.92 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -41.22 -45.7 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.86 -41.62 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 76.8 mt -54.81 -42.5 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -53.36 -22.79 8.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.92 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.5 p -51.01 -27.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.18 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.452 HG22 ' N ' ' A' ' 48' ' ' GLU . 3.5 t -73.3 -22.37 60.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' N ' HG22 ' A' ' 47' ' ' THR . 10.1 tp10 -77.96 -41.33 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.63 -12.86 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 67.87 44.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.9 m -127.74 149.28 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.72 122.54 7.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.3 p -40.57 -41.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.97 -48.31 67.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.0 mt -48.08 -37.82 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.2 t -78.5 -59.74 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -43.12 -41.27 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.3 m -67.68 -41.99 82.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.94 -39.63 71.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.95 -64.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.03 -40.49 58.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -56.19 -58.37 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 54.9 ttt180 -47.73 -56.69 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' ARG . 38.5 mtm180 -34.51 -52.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -57.83 -52.58 64.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -38.52 -47.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -65.27 -49.53 69.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' GLY . 7.8 ttm180 -44.47 -48.26 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -44.09 -42.84 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.3 mtp -75.69 -24.97 56.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 104.63 41.74 1.96 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.8 mm -90.83 139.07 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -88.14 44.89 1.23 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.5 p -83.32 44.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.7 t -60.75 -54.63 42.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.53 -94.95 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.64 18.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -93.52 -58.58 2.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 t -167.38 156.86 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -136.63 161.71 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -122.17 169.29 11.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.81 -176.81 21.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -156.94 132.43 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -108.78 119.33 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.71 163.51 29.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.86 82.53 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.4 tt -131.42 115.22 15.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.1 tp60 -58.28 135.0 57.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -162.94 173.49 13.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -123.39 119.0 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 t -78.22 145.2 35.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -86.04 147.47 26.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -106.93 152.48 23.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -106.66 163.48 12.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -48.67 -44.64 37.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -59.92 -53.35 58.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.05 -59.88 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -41.7 -46.95 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.22 -39.85 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 m -67.41 -57.26 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.11 -59.21 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -47.46 -41.59 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -48.68 -45.75 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.83 -38.36 86.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.464 ' CH2' HG22 ' A' ' 32' ' ' THR . 5.9 t-105 -54.45 -26.14 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.56 -8.73 15.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -115.52 18.91 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 44.81 11.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -84.06 34.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.464 HG22 ' CH2' ' A' ' 27' ' ' TRP . 34.2 p -89.56 -32.89 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -71.99 145.44 48.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 45.3 mt -99.6 -29.53 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.18 161.89 0.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 2.0 t -41.58 -37.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.439 HG11 ' N ' ' A' ' 38' ' ' CYS . 8.7 p -40.08 -43.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.439 ' N ' HG11 ' A' ' 37' ' ' VAL . 33.6 m -109.96 -28.76 8.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 13.6 ttm180 -38.95 -42.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -55.5 -43.31 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' CYS . 5.7 mmpt? -65.54 -47.23 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.457 HD13 ' CD1' ' A' ' 60' ' ' ILE . 62.0 mt -53.53 -36.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -58.33 -21.31 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.38 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 p -47.24 -26.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.77 -40.36 25.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.459 HG21 ' N ' ' A' ' 48' ' ' GLU . 3.0 t -75.31 -22.27 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.459 ' N ' HG21 ' A' ' 47' ' ' THR . 10.0 tp10 -80.31 -39.31 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.1 mt -88.67 -6.62 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m120 66.38 39.5 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.1 m -121.25 149.95 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.27 124.26 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.7 p -39.91 -33.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.0 -48.21 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -49.14 -42.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.1 t -73.33 -56.99 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -43.67 -38.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.1 m -75.85 -42.96 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -53.66 -44.69 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.457 ' CD1' HD13 ' A' ' 42' ' ' ILE . 92.1 mt -56.65 -58.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.91 -35.66 32.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -72.82 -53.77 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -47.73 -51.14 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -45.29 -59.2 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -59.03 -51.34 70.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -46.51 -25.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 70' ' ' MET . 5.2 m-85 -93.79 -70.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 ttt85 -39.55 -38.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -61.11 -42.64 98.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.462 ' HB3' ' CD1' ' A' ' 72' ' ' ILE . 13.6 ttp -68.99 -24.29 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 119.01 33.49 1.14 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.525 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.465 ' N ' HD13 ' A' ' 72' ' ' ILE . 1.6 mp -100.17 108.11 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.099 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.45 117.66 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 75' ' ' SER . 6.0 p -161.04 130.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' VAL . 44.2 t -35.73 141.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -161.32 -160.65 10.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.602 2.201 . . . . 0.0 112.366 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -121.98 153.13 38.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.9 p -140.53 161.23 38.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.525 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -93.09 87.83 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.848 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 m -152.88 128.18 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.0 113.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -149.22 139.63 22.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -109.17 138.19 45.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.58 50.39 2.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.2 158.67 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -121.82 162.23 21.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -90.38 -48.28 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -146.48 116.44 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 56.4 mtp180 -41.88 128.71 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.7 m -126.34 93.72 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.36 135.76 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -99.29 155.92 17.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 2.0 m -105.36 150.32 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -34.54 -42.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -59.99 -58.85 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.78 -58.76 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -41.96 -49.65 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.15 -43.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.8 m -66.68 -54.02 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.3 mt -54.27 -50.36 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -56.03 -48.6 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -45.31 -42.31 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.47 -33.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.469 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 6.2 t-105 -57.75 -24.91 59.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.22 -4.3 21.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -116.17 15.88 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.13 33.88 11.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.63 32.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.469 ' HB ' ' CH2' ' A' ' 27' ' ' TRP . 2.5 t -111.99 52.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -160.39 156.2 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.6 mt -94.13 -35.19 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.67 140.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.474 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -44.79 -27.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.8 m -49.66 -38.47 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.2 -23.16 15.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 23.9 ttp180 -47.66 -42.49 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -53.75 -47.02 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -64.42 -40.44 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.424 HD11 ' CG ' ' A' ' 57' ' ' ARG . 53.0 mt -57.28 -39.49 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -55.08 -19.63 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.98 -63.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.0 p -49.42 -27.56 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.45 -46.66 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.426 HG21 ' N ' ' A' ' 48' ' ' GLU . 4.1 t -70.4 -20.55 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' N ' HG21 ' A' ' 47' ' ' THR . 8.4 tp10 -79.6 -38.16 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 98.4 mt -90.34 -7.05 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 62.1 42.42 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -123.61 148.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -48.38 123.46 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -44.99 -42.64 8.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.94 -41.01 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 89.0 mt -52.89 -41.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 70.0 t -72.31 -60.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' CG ' HD11 ' A' ' 42' ' ' ILE . 50.0 mtp180 -47.38 -36.36 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.3 m -74.83 -41.02 60.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -56.4 -38.24 71.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 77.6 mt -62.13 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -46.01 -45.39 14.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -61.86 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' ARG . 17.1 mmt180 -62.1 -55.12 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' ARG . 61.9 mtp180 -34.54 -47.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -66.48 -49.23 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -41.71 -49.25 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -60.99 -58.84 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 71' ' ' GLY . 31.4 tpt85 -47.27 -49.58 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.7 mt -44.46 -43.99 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.6 mtp -73.1 -25.56 60.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 107.42 33.38 3.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 18.8 mt -95.33 141.57 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.096 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -89.1 39.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -46.64 -34.48 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 t -95.58 136.96 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -112.9 -88.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 112.93 3.21 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.8 p -116.54 153.14 32.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -95.26 156.31 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t 65.72 42.12 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -89.96 104.34 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.1 -89.89 0.59 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -173.14 139.85 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -38.61 -47.14 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.24 -157.62 9.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.54 148.74 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.21 167.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -110.0 -49.34 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -79.12 113.17 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.46 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 13.6 mtp-105 -91.79 151.85 20.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.3 p -87.64 125.36 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 14' ' ' GLN . 5.3 tp60 -106.01 126.53 52.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -122.11 159.42 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.6 t -107.83 143.66 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.9 OUTLIER -34.74 -46.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.44 -51.75 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.25 -51.91 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 36.3 mt -46.09 -52.2 12.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.02 -43.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.6 m -64.72 -50.25 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.8 mt -59.32 -57.8 11.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.5 -37.12 16.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -52.79 -52.16 57.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.443 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 35.5 m-85 -65.47 -33.86 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.538 ' CZ3' HG23 ' A' ' 32' ' ' THR . 9.2 t-105 -56.1 -28.57 58.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.95 -8.85 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.56 17.3 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.12 33.23 29.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -76.31 48.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.538 HG23 ' CZ3' ' A' ' 27' ' ' TRP . 50.7 p -114.79 37.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.9 m -142.94 152.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.47 -30.86 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.24 169.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -56.16 -33.21 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -45.53 -38.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -107.9 -30.79 8.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -42.02 -47.13 4.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -47.36 -45.07 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -71.68 -39.27 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 67.8 mt -61.46 -37.92 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -56.77 -20.83 24.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.49 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.443 ' HB ' ' CD2' ' A' ' 26' ' ' TYR . 10.7 p -46.39 -23.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.56 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 48' ' ' GLU . 5.8 t -75.07 -22.43 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' N ' HG21 ' A' ' 47' ' ' THR . 8.5 tp10 -81.21 -40.91 23.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.95 -8.72 57.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.24 42.65 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.43 145.66 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -53.6 134.12 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.7 p -39.9 -39.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -57.08 -42.33 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' ASP . 42.2 mm -49.93 -36.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 59' ' ' TRP . 93.7 t -86.3 -64.63 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.455 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 2.5 mtp-105 -39.63 -35.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.5 m -74.15 -38.69 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.473 ' N ' ' O ' ' A' ' 56' ' ' VAL . 68.7 t90 -61.85 -37.38 84.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.3 mt -62.25 -63.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.22 -43.5 25.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -65.63 -59.53 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HD2' ' CE2' ' A' ' 67' ' ' TYR . 14.6 tpp180 -45.06 -54.0 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.6 mtp85 -36.86 -57.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -56.66 -55.42 34.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -41.8 -46.52 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CE2' ' HD2' ' A' ' 63' ' ' ARG . 7.6 m-85 -63.54 -64.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.0 -48.05 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -46.16 -42.5 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 6.7 tmm? -71.64 -25.84 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.6 -23.96 3.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.1 mp -48.87 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' O ' ' CD ' ' A' ' 73' ' ' GLU . 2.2 pp20? -78.99 45.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.5 p -49.01 -32.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.5 m -86.59 80.0 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.92 171.77 23.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.54 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m 48.08 43.3 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.2 m -93.39 147.17 23.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 68.93 42.04 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -131.48 170.4 14.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.65 -167.42 12.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -116.74 169.81 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.376 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -104.47 147.22 27.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.57 146.92 5.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.76 94.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pp -130.26 153.27 48.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -115.68 93.82 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -147.98 140.76 24.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -103.67 89.2 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.8 m -67.88 92.78 0.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -82.69 149.48 27.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -83.94 133.63 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 m -74.41 150.78 39.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.36 -55.83 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -51.26 -52.18 47.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' LEU . 13.2 m-20 -59.71 -62.2 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.6 mt -36.69 -52.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.96 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.0 m -56.63 -48.63 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -59.52 -61.28 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -48.33 -34.54 10.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -52.46 -48.41 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -69.3 -34.74 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.533 ' CZ3' HG21 ' A' ' 32' ' ' THR . 4.9 t-105 -55.7 -28.04 53.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -11.13 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -108.87 19.22 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.81 34.78 26.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -78.89 46.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.533 HG21 ' CZ3' ' A' ' 27' ' ' TRP . 56.9 p -114.1 37.95 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -138.44 152.11 48.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.61 -25.63 15.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.75 173.58 0.31 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -61.01 -31.12 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.915 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -46.46 -32.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -109.85 -33.8 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -38.05 -54.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -45.57 -43.84 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -68.74 -48.55 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 32.2 mt -55.07 -35.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.24 -21.78 49.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.88 -62.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.0 p -47.82 -26.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.43 -44.65 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.446 HG21 ' N ' ' A' ' 48' ' ' GLU . 5.1 t -73.64 -21.47 60.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.446 ' N ' HG21 ' A' ' 47' ' ' THR . 9.3 tp10 -77.13 -38.12 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.73 -7.11 57.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.57 39.96 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.09 169.38 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -69.41 117.01 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 m -41.23 -48.06 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -42.14 -44.0 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.5 mt -51.75 -42.51 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.41 -58.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -45.58 -45.14 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.7 m -68.13 -35.35 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -64.13 -39.82 94.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 95.3 mt -57.85 -60.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.3 -41.58 62.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -56.11 -58.73 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.5 ttm180 -48.41 -61.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' ARG . 57.6 mtp180 -37.09 -61.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 5.6 ttm105 -57.84 -56.23 24.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' ARG . 21.8 mmtt -34.4 -57.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -53.94 -52.4 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -47.4 68.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -50.87 -39.93 55.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.4 ttp -74.19 -25.51 59.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.68 -32.56 2.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.6 mt -75.13 92.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -73.85 124.18 25.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.39 140.2 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.6 p -126.61 -56.19 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.39 -161.45 9.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 1.77 4.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.6 p -109.05 136.18 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.0 p -106.59 166.85 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -114.9 177.18 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.83 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' SER . 6.9 t -168.68 125.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.7 95.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 3' ' ' SER . 23.6 m -63.42 133.98 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -47.08 113.34 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.9 178.34 39.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -41.09 161.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -87.7 135.02 33.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -51.32 -53.98 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' C ' ' OD1' ' A' ' 11' ' ' ASP . 0.4 OUTLIER -123.38 160.84 25.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.406 ' HD3' ' N ' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -102.28 170.48 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -146.82 141.32 26.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -125.49 158.74 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -106.19 127.33 53.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -87.3 157.3 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -63.01 -58.92 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.56 -47.84 75.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.5 mt -52.68 -48.39 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.33 -55.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.436 ' CG2' HG22 ' A' ' 45' ' ' VAL . 88.5 m -53.23 -52.11 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.39 -60.41 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -45.12 -35.69 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -53.75 -51.93 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.3 m-85 -68.82 -32.51 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.464 ' CZ2' HG21 ' A' ' 32' ' ' THR . 18.3 t-105 -56.53 -26.1 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.25 -12.73 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 18.4 t-20 -106.04 22.21 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.66 33.21 43.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.41 48.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.464 HG21 ' CZ2' ' A' ' 27' ' ' TRP . 69.5 p -105.48 -34.47 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -78.47 141.72 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLY . 5.9 mt -83.52 -28.59 28.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.25 152.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -51.13 -24.13 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.452 HG12 ' N ' ' A' ' 38' ' ' CYS . 6.7 p -52.87 -32.29 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.452 ' N ' HG12 ' A' ' 37' ' ' VAL . 2.0 m -105.9 -31.95 8.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 38' ' ' CYS . 19.2 ttm180 -36.94 -43.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -45.27 -54.21 7.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.548 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -62.12 -43.9 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 86.4 mt -53.67 -43.93 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.67 -15.33 11.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.46 -57.64 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.436 HG22 ' CG2' ' A' ' 22' ' ' THR . 11.9 p -54.69 -24.98 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.81 -42.51 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.449 HG22 ' N ' ' A' ' 48' ' ' GLU . 5.2 t -76.21 -21.73 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.449 ' N ' HG22 ' A' ' 47' ' ' THR . 15.3 tp10 -77.28 -37.55 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -89.98 -4.69 57.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 62.63 41.15 9.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -124.23 176.16 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 120.68 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.6 m -39.43 -46.34 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -42.79 -45.83 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -55.25 -40.63 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.1 t -73.79 -58.67 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.5 mtp180 -47.98 -38.01 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.2 m -73.2 -38.61 66.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.552 ' CZ2' ' HD2' ' A' ' 63' ' ' ARG . 46.3 t90 -61.03 -37.56 83.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.62 -63.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.47 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -51.7 -48.38 50.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -58.91 -41.56 87.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.552 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 28.4 ttt180 -59.71 -55.94 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.47 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 29.6 mtm105 -39.35 -57.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' ARG . 7.8 ttp-105 -48.26 -57.29 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' ARG . 35.6 tttt -34.47 -49.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -59.82 -43.73 94.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ARG . 39.9 mtt180 -66.2 -52.13 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 60.1 mt -44.92 -39.74 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 19.5 ttp -75.4 -25.79 57.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 112.62 38.5 1.3 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 73' ' ' GLU . 28.5 mt -120.08 139.88 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' N ' HG22 ' A' ' 72' ' ' ILE . 1.8 mp0 -93.57 83.93 4.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.3 p -88.49 40.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 m -45.71 -63.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.53 83.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -179.22 2.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.7 p -157.46 138.46 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 t -56.4 116.67 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -113.51 84.55 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.818 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -82.44 110.1 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.89 48.02 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -45.06 -49.92 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -44.39 -41.23 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.47 79.11 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.33 78.09 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp -140.13 129.47 23.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -112.09 103.23 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -109.3 44.7 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -58.26 -22.41 52.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.402 HG22 ' N ' ' A' ' 14' ' ' GLN . 9.9 t -54.15 -37.33 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.402 ' N ' HG22 ' A' ' 13' ' ' THR . 57.7 tp60 -126.04 155.15 41.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -110.88 147.02 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -76.23 147.24 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -38.72 -38.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -70.67 -51.13 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.99 -52.56 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 20.4 mt -48.7 -54.43 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.34 -43.47 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 57.1 m -67.41 -51.85 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.46 -51.96 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -55.84 -45.65 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -46.95 -44.46 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -72.59 -35.99 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.465 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 2.7 t-105 -53.19 -32.33 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.47 -21.19 35.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -97.32 26.82 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.1 18.95 76.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 ttp -56.39 -24.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.475 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 4.3 t -42.51 -23.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' MET . 1.3 t -79.54 155.83 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.45 ' O ' ' C ' ' A' ' 35' ' ' GLY . 15.2 mt -107.38 -30.93 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.4 147.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 64.6 m -41.48 -42.93 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p -39.49 -40.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.6 m -96.44 -25.29 15.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 24.3 ttm180 -43.81 -38.56 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.14 -52.66 64.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -56.72 -43.44 80.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 40.6 mt -52.48 -37.3 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.92 -23.8 55.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.97 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 11.8 p -49.3 -24.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.57 -45.77 20.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 48' ' ' GLU . 5.9 t -71.97 -22.25 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' HG22 ' A' ' 47' ' ' THR . 7.7 tp10 -78.06 -36.35 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.5 mt -94.07 -7.58 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 62.34 44.6 7.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.93 143.59 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.446 ' N ' HD12 ' A' ' 55' ' ' ILE . 6.5 t70 -44.6 126.26 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.1 p -46.05 -40.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -56.03 -42.63 76.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.446 HD12 ' N ' ' A' ' 52' ' ' ASP . 31.1 mt -52.24 -41.57 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.76 -56.8 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.6 mtp85 -48.3 -40.57 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -71.48 -38.14 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -63.26 -45.64 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 32' ' ' THR . 99.1 mt -47.18 -64.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.461 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -55.69 -33.93 60.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.64 -52.75 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -58.64 -43.11 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.461 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 59.2 mtm180 -40.65 -51.83 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -65.69 -51.93 55.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ARG . 2.1 mmmp? -35.84 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ARG . 34.6 m-85 -84.21 -48.08 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 65' ' ' ARG . 10.9 tpt180 -70.51 -56.15 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.5 ' CD1' ' C ' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -47.76 -32.1 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.45 ' HE1' ' CD1' ' A' ' 72' ' ' ILE . 6.9 tmm? -79.46 -26.06 41.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.74 36.51 1.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.465 HG22 ' N ' ' A' ' 73' ' ' GLU . 81.2 mt -125.8 148.66 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 111.159 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' N ' HG22 ' A' ' 72' ' ' ILE . 1.5 pm0 -100.11 89.47 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.46 -25.73 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -72.76 -44.28 61.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.09 172.59 19.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.47 30.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -58.13 119.38 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -124.84 150.51 46.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m -125.0 160.02 29.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -82.76 103.4 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.63 138.43 35.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -93.08 -54.03 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -71.29 -44.09 65.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.44 141.93 3.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.456 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.4 148.28 25.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 111.162 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.1 mp -130.31 157.75 41.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -174.67 133.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.71 98.49 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -96.2 101.45 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.9 p -135.16 137.47 42.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -113.3 154.61 26.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -114.02 136.6 52.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.446 ' OG ' ' CZ ' ' A' ' 18' ' ' ARG . 13.3 t -94.36 149.34 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.48 -46.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' CZ ' ' OG ' ' A' ' 16' ' ' SER . 10.7 ptt-85 -56.12 -47.63 77.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.6 m-20 -63.34 -63.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ASP . 30.5 mt -35.6 -45.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.81 -48.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.7 m -59.46 -58.6 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' CD2' HG23 ' A' ' 45' ' ' VAL . 11.7 mt -55.23 -62.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -43.04 -38.06 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -51.79 -51.6 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.69 -33.4 75.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.438 ' CH2' HG22 ' A' ' 32' ' ' THR . 34.9 t-105 -54.84 -30.91 58.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -15.99 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -105.13 25.62 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.36 61.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.0 ttp -78.15 46.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.438 HG22 ' CH2' ' A' ' 27' ' ' TRP . 72.1 p -94.48 -38.11 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.38 156.02 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.2 mt -106.14 -34.62 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.99 177.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' VAL . 3.3 m -49.58 -42.42 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.837 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 16.4 m -36.12 -38.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.65 -35.85 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.0 ttt180 -37.17 -45.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -46.03 -45.58 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -74.71 -39.15 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.449 HD11 ' CD1' ' A' ' 60' ' ' ILE . 52.7 mt -59.62 -36.97 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.6 -25.17 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.67 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.442 HG23 ' CD2' ' A' ' 23' ' ' LEU . 9.4 p -47.67 -24.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.6 -43.31 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 48' ' ' GLU . 6.0 t -75.07 -22.37 58.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 47' ' ' THR . 11.7 tp10 -78.04 -40.85 37.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.05 -4.67 59.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m120 61.57 43.89 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.46 147.69 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 130.52 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 p -38.1 -39.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.64 -48.9 74.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mm -42.38 -44.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' TRP . 70.5 t -77.9 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 56' ' ' VAL . 65.6 mtm180 -37.96 -42.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.6 m -65.6 -42.07 92.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 76.0 t90 -56.7 -43.31 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' CD1' HD11 ' A' ' 42' ' ' ILE . 83.7 mt -56.13 -61.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.48 78.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -50.31 -48.94 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.54 -44.78 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.76 -45.64 89.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -69.92 -43.59 71.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.67 -30.09 41.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.8 -50.12 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' GLY . 63.7 ttt-85 -54.26 -44.31 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.7 mt -42.31 -53.39 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.468 ' CE ' HD13 ' A' ' 72' ' ' ILE . 38.8 ttp -67.08 -24.31 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 112.62 51.76 0.53 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.468 HD13 ' CE ' ' A' ' 70' ' ' MET . 15.9 mm -116.37 146.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -109.94 90.1 3.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 75' ' ' SER . 35.4 m -47.37 -40.24 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.457 ' N ' HG23 ' A' ' 74' ' ' VAL . 25.6 t -103.98 -48.37 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.63 -158.18 52.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -38.18 8.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.2 p -68.78 157.82 35.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 81.2 p -125.05 172.7 9.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 61.91 42.78 9.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -107.96 89.79 3.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.68 -177.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 6' ' ' SER . 10.7 t -76.33 154.36 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' SER . 16.9 t -37.51 -54.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.58 -60.52 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.49 119.75 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.412 HD22 ' N ' ' A' ' 10' ' ' GLN . 4.0 tt -43.26 151.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' N ' HD22 ' A' ' 9' ' ' LEU . 46.5 tt0 -117.81 -58.52 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -83.94 142.65 30.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -106.56 81.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.0 p -118.06 86.73 2.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -122.24 142.68 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -90.28 163.2 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.4 t -112.1 150.1 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 5.2 m-20 -36.74 -50.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -55.39 -52.11 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.65 -53.91 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -50.85 -51.0 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 m -58.64 -47.39 84.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 18.0 mt -59.29 -57.29 13.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -49.78 -39.16 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -52.79 -48.57 66.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.93 -37.13 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.442 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 3.7 t-105 -50.91 -34.98 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -26.88 26.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 25.2 t-20 -93.36 31.08 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.9 70.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.94 -28.59 66.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 9.3 t -42.46 -28.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -87.66 146.37 25.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' GLY . 6.9 mt -93.53 -74.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.4 -129.94 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 m -123.9 -39.83 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.19 -39.48 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.07 -35.48 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -38.8 -48.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.44 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -51.56 -48.2 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.3 mt -53.15 -36.58 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -56.68 -25.1 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.21 -64.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.8 p -46.23 -27.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.27 -44.33 46.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.462 HG23 ' N ' ' A' ' 48' ' ' GLU . 6.1 t -74.09 -22.59 59.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 47' ' ' THR . 18.1 tp10 -77.63 -39.25 45.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.8 mt -88.79 -1.37 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 63.18 40.7 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.17 143.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -53.11 136.78 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.52 -45.88 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.43 -41.22 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.5 mm -52.13 -40.53 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 59' ' ' TRP . 72.7 t -85.21 -63.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' VAL . 43.2 mtp180 -37.33 -38.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 48.8 m -73.53 -42.95 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 27.5 t90 -59.94 -38.82 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 32' ' ' THR . 81.5 mt -54.09 -64.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.08 -44.34 50.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -52.1 -43.84 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -64.03 -45.51 88.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -46.1 -46.34 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 13.9 tpt180 -67.12 -27.33 67.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -74.82 -39.09 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.566 ' CD2' HD12 ' A' ' 72' ' ' ILE . 11.3 m-85 -93.84 -61.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -45.17 -26.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 7.4 tp -65.12 -45.45 85.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.47 ' CE ' HD11 ' A' ' 72' ' ' ILE . 40.7 ttp -79.08 -26.23 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.23 36.49 4.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.566 HD12 ' CD2' ' A' ' 67' ' ' TYR . 58.2 mt -75.33 60.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' ILE . 17.9 mt-10 34.14 45.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.1 p -132.48 41.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.7 p -122.23 80.73 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -110.27 83.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.44 37.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.7 m -64.8 -59.89 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 80' ' ' GLY . 79.5 p -83.02 110.35 17.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.448 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -108.9 118.12 35.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -65.08 157.7 27.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.14 171.51 23.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -112.52 127.32 56.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -98.61 -61.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.2 115.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.44 173.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.2 mp -112.99 -54.48 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' O ' ' CD ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER 69.34 41.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.34 176.49 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.83 93.36 9.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.8 p -119.17 96.08 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -84.29 156.57 21.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -100.02 156.89 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 t -106.42 157.64 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.97 -45.35 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -63.91 -48.25 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.59 -54.96 41.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' LEU . 34.8 mt -52.48 -49.67 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.88 -36.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 31.3 m -72.04 -39.7 68.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.555 ' HB3' ' CH2' ' A' ' 59' ' ' TRP . 12.1 mt -64.17 -66.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -45.02 -43.02 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -42.64 -49.18 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.03 -35.81 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.574 ' CZ2' ' CG2' ' A' ' 32' ' ' THR . 4.8 t-105 -54.84 -29.48 55.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -65.6 -7.09 13.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -112.44 13.92 20.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 32.68 12.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -79.67 44.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.574 ' CG2' ' CZ2' ' A' ' 27' ' ' TRP . 58.5 p -111.75 53.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.71 159.82 43.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.461 ' CD2' ' HG2' ' A' ' 57' ' ' ARG . 9.5 mt -108.08 -26.39 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.03 -179.26 3.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 m -57.27 -30.5 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 m -47.75 -37.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 m -108.56 -37.51 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.65 -50.38 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.07 -47.82 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -71.75 -44.6 63.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.456 HD13 ' CD1' ' A' ' 60' ' ' ILE . 56.9 mt -51.18 -43.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.99 -23.94 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.25 -62.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p -48.86 -27.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.56 24.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.451 HG22 ' N ' ' A' ' 48' ' ' GLU . 5.0 t -71.63 -21.24 61.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.451 ' N ' HG22 ' A' ' 47' ' ' THR . 10.8 tp10 -82.15 -33.68 29.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.0 mt -95.62 -2.13 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.63 44.38 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.79 153.83 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -57.85 123.92 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.1 p -45.14 -28.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -66.19 -43.2 87.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -50.91 -40.47 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.8 t -72.77 -55.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.461 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 7.7 ttp180 -44.88 -43.65 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.1 m -70.32 -40.54 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.555 ' CH2' ' HB3' ' A' ' 23' ' ' LEU . 80.2 t90 -55.09 -40.16 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.456 ' CD1' HD13 ' A' ' 42' ' ' ILE . 95.2 mt -62.77 -62.27 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.64 -40.46 55.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.5 -50.98 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -54.44 -53.72 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -50.6 -50.25 54.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -60.62 -47.1 87.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -50.02 -58.76 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -50.62 -60.31 3.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -46.27 -58.52 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.48 -41.89 70.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 ttp -67.41 -25.8 66.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 141.46 -35.78 1.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 84.3 mt -76.44 95.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -69.2 136.22 51.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.8 p -158.89 141.44 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -152.97 155.76 37.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.14 146.73 28.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.4 t -123.23 128.05 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.7 m -153.39 129.9 10.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -155.28 177.61 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -85.78 156.49 20.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.16 154.79 12.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -91.26 126.59 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.403 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 m -108.1 129.91 55.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.4 -43.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.95 41.33 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.2 tp -52.32 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -175.42 128.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -65.72 104.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -156.5 128.89 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.9 m -105.77 87.52 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -123.71 138.53 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -112.05 145.68 39.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 m -102.94 156.19 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.4 -55.43 4.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -48.03 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.431 ' O ' ' C ' ' A' ' 20' ' ' LEU . 8.3 m-20 -58.32 -65.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' ASP . 14.7 mt -34.42 -51.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.85 -51.18 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 m -57.17 -54.28 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.2 mt -60.42 -58.92 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -51.05 -33.42 25.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -57.84 -46.4 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -68.12 -32.03 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.45 ' CH2' HG23 ' A' ' 32' ' ' THR . 8.2 t-105 -57.0 -27.38 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.72 -8.0 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -111.79 18.91 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.87 33.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -77.36 48.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.45 HG23 ' CH2' ' A' ' 27' ' ' TRP . 64.2 p -106.8 -31.68 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -77.73 140.01 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -83.33 -31.79 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.55 158.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.411 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 3.2 m -47.44 -39.35 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.424 HG13 ' N ' ' A' ' 38' ' ' CYS . 4.3 p -37.13 -34.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' LYS . 70.9 m -106.72 -35.12 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 38' ' ' CYS . 49.0 ttt180 -37.46 -39.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -58.52 -45.12 89.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . 20.8 mmmt -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.6 mt -51.32 -44.99 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.0 -22.05 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.38 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.405 ' CG1' HG12 ' A' ' 56' ' ' VAL . 8.1 p -48.54 -27.18 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.56 -45.53 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.453 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.6 t -72.15 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.453 ' N ' HG23 ' A' ' 47' ' ' THR . 10.3 tp10 -77.64 -31.7 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 86.2 mt -96.06 -5.8 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 60.48 42.7 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 m -124.91 169.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -71.34 121.11 17.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 m -39.93 -46.04 1.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -44.85 -53.02 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 73.8 mt -47.47 -39.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG12 ' CG1' ' A' ' 45' ' ' VAL . 74.9 t -73.33 -59.93 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 38.4 mtp85 -48.97 -36.95 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.8 m -73.28 -37.94 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.84 -34.82 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.21 -60.43 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.12 -41.28 45.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.06 -49.02 79.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -53.63 -58.81 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -42.37 -43.92 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HG3' ' CD2' ' A' ' 69' ' ' LEU . 38.3 ttp85 -62.54 -58.42 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -38.02 -44.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -66.79 -57.27 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -48.15 -39.15 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD2' ' HG3' ' A' ' 65' ' ' ARG . 4.4 mm? -55.62 -44.01 76.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 20.8 ttp -73.47 -25.88 60.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.35 34.7 2.25 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 28.6 mt -108.85 154.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.342 . . . . 0.0 111.145 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -119.05 140.08 50.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' SER . 32.8 m -115.7 152.77 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' VAL . 77.2 p -37.41 108.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -112.97 146.21 18.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 171.91 13.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.4 p -98.47 107.05 19.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.7 p -82.14 86.27 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -82.46 144.06 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -48.67 99.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.8 141.02 2.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -102.42 117.75 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -46.02 -58.79 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.72 -121.2 0.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.63 141.17 28.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.406 ' C ' HD12 ' A' ' 9' ' ' LEU . 4.3 pp -87.25 166.11 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -126.62 -61.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -146.78 134.49 21.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -114.93 173.44 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.3 m -98.93 109.81 22.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -96.56 153.0 18.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -83.87 140.54 31.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -73.68 140.69 46.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.31 -48.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -58.59 -53.41 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.38 -51.37 65.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 21.6 mt -50.3 -52.71 34.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.39 -47.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -62.58 -55.41 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.448 ' CD2' HG13 ' A' ' 56' ' ' VAL . 11.3 mt -53.24 -60.87 2.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -48.4 -37.51 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -54.56 -46.02 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -69.17 -36.55 77.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.559 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 5.0 t-105 -52.03 -32.68 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -25.75 25.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -94.33 27.91 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.65 73.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.415 ' CE ' HG12 ' A' ' 60' ' ' ILE . 3.5 ttp -54.46 -22.72 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.559 ' HB ' ' CH2' ' A' ' 27' ' ' TRP . 3.1 t -43.53 -28.79 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -68.92 145.53 53.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' GLY . 12.9 mt -97.84 -37.62 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.34 150.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 15.6 t -41.5 -46.13 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.4 m -34.09 -38.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' SER . 2.1 m -97.84 -34.43 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 35.6 ttp85 -38.85 -39.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.51 -45.01 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 52.0 mt -51.02 -41.95 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.0 -26.35 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.31 -61.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.8 p -51.55 -23.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.91 -44.35 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.452 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.9 t -72.1 -22.12 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.452 ' N ' HG23 ' A' ' 47' ' ' THR . 12.8 tp10 -77.79 -39.74 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.37 -5.38 58.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 t30 66.22 39.52 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -127.06 140.18 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.42 129.99 16.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -42.25 -53.15 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -41.82 -45.14 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.95 -40.05 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 HG13 ' CD2' ' A' ' 23' ' ' LEU . 89.9 t -77.83 -60.81 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.418 ' CG ' ' CD2' ' A' ' 34' ' ' LEU . 1.6 ttt-85 -44.3 -36.71 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.4 m -73.92 -43.76 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -59.74 -39.52 85.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.415 HG12 ' CE ' ' A' ' 31' ' ' MET . 90.1 mt -51.45 -63.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.15 -43.13 56.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -45.61 -44.3 12.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -63.66 -55.7 21.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' OG1' ' A' ' 32' ' ' THR . 9.9 mtt-85 -44.05 -43.92 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -41.33 88.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -62.43 -54.25 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -50.81 -52.99 35.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' GLY . 8.6 tpt180 -56.64 -49.91 73.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.8 mt -41.38 -37.84 1.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.4 ttp -86.41 -25.49 25.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 136.66 -27.32 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.3 mt -67.18 100.06 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -94.97 76.55 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 m -53.11 138.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -171.99 115.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.6 142.89 46.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 95.57 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.36 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -66.45 -46.51 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.8 p -112.07 86.76 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -93.45 149.07 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m 45.55 42.36 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.59 63.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 27.1 t -113.73 143.64 44.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 67.2 m -36.47 146.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.31 130.52 3.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.04 45.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.05 153.23 32.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -154.07 142.61 20.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -90.65 113.87 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -118.5 -52.54 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -103.2 107.09 17.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -106.81 155.14 20.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -120.44 150.7 40.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . 74.3 m -110.49 155.36 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' SER . 23.5 m-20 -37.58 -43.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -60.82 -55.53 31.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -56.37 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.4 mt -41.97 -51.27 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.04 -52.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.5 m -56.03 -50.26 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -59.92 -62.17 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -44.83 -33.99 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.9 -52.37 63.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 33.9 m-85 -66.02 -33.54 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.499 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 6.8 t-105 -55.65 -30.36 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.79 -11.23 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.445 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 10.9 t-20 -107.26 21.36 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.83 45.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.6 ttp -75.96 48.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 39.7 p -114.95 44.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -150.54 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.6 mt -99.35 -34.07 10.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.41 171.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 p -56.54 -34.94 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -44.39 -33.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 m -109.9 -31.73 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.1 ttp180 -42.07 -51.18 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -39.63 -44.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.417 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -76.03 -42.81 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 60.2 mt -55.7 -39.62 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -59.0 -16.16 16.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -94.01 -61.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.553 ' HB ' ' CD2' ' A' ' 26' ' ' TYR . 12.0 p -49.25 -26.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.08 -44.2 26.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.455 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.0 t -73.91 -22.24 59.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.455 ' N ' HG23 ' A' ' 47' ' ' THR . 9.2 tp10 -79.04 -41.69 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -87.56 -13.53 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.18 44.26 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.23 147.91 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.93 120.45 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 p -40.01 -36.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -58.05 -45.22 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.0 mt -49.76 -38.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.05 -62.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.7 mtp85 -43.55 -42.98 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 m -70.4 -38.22 74.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -58.33 -43.08 88.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.1 mt -55.64 -62.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.48 -33.9 33.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -67.37 -66.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.499 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 16.3 ttt85 -39.09 -46.96 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -48.71 -57.52 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' LYS . 4.5 ttt180 -66.97 -50.09 63.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' ARG . 79.7 mttt -35.47 -45.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.45 -60.67 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' GLY . 16.1 mmt85 -44.57 -47.22 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mp -40.11 -45.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.1 ttp -84.83 -25.58 28.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 130.78 -19.3 5.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.449 HG21 ' N ' ' A' ' 73' ' ' GLU . 62.5 mt -69.13 135.3 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 111.164 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.449 ' N ' HG21 ' A' ' 72' ' ' ILE . 6.8 pt-20 -123.71 135.33 53.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.6 m -102.29 41.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.5 t -145.01 139.26 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.93 -94.99 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 88.19 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.6 m -141.54 166.08 25.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 t -88.69 -56.85 3.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -91.14 140.92 29.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.807 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t 49.68 42.05 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.14 119.66 3.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -132.46 164.52 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -53.14 154.71 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.05 -116.45 1.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.08 156.88 43.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -117.43 138.38 51.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -154.91 157.31 37.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -49.15 166.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -43.03 107.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.0 p -81.54 156.73 25.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.06 137.21 44.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -79.75 129.39 34.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 t -87.09 158.1 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.28 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -60.51 -58.45 8.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.61 -52.67 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -46.25 -51.32 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.79 -51.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 42.0 m -55.28 -56.72 16.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -57.87 -62.76 1.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -42.74 -32.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -55.4 -55.86 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.97 -33.47 75.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.427 ' CZ3' HG21 ' A' ' 32' ' ' THR . 7.4 t-105 -55.09 -28.94 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.87 -15.35 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -106.11 22.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.1 38.26 35.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.5 ttp -78.91 45.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.427 HG21 ' CZ3' ' A' ' 27' ' ' TRP . 34.4 p -111.21 48.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.36 160.08 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -102.25 -40.58 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.5 170.95 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 37' ' ' VAL . 6.2 m -44.06 -42.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 38' ' ' CYS . 7.7 p -35.93 -38.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.445 ' N ' HG12 ' A' ' 37' ' ' VAL . 29.2 m -109.42 -40.1 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 38' ' ' CYS . 2.7 tpp85 -37.12 -43.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.4 -52.54 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -65.63 -43.53 89.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.433 ' CD1' ' HG2' ' A' ' 57' ' ' ARG . 41.4 mt -53.5 -41.9 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.39 -23.81 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.31 -63.03 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' CG1' HG12 ' A' ' 56' ' ' VAL . 7.7 p -48.92 -25.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -46.53 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.456 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.9 t -70.34 -22.48 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.456 ' N ' HG23 ' A' ' 47' ' ' THR . 9.0 tp10 -77.14 -37.72 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -92.09 -11.44 35.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 62.28 44.78 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.0 m -125.16 156.05 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.38 118.02 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.9 p -39.93 -38.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -54.7 -44.47 73.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 88.5 mt -50.16 -42.15 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG12 ' CG1' ' A' ' 45' ' ' VAL . 71.6 t -76.76 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' HG2' ' CD1' ' A' ' 42' ' ' ILE . 42.3 mtp180 -40.43 -44.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 m -67.53 -39.54 85.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -56.24 -40.7 74.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.8 mt -59.27 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.431 ' HA2' ' CZ ' ' A' ' 64' ' ' ARG . . . -52.47 -41.27 55.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.39 -55.99 25.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' ARG . 13.9 ttt180 -47.86 -63.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.451 ' C ' ' O ' ' A' ' 63' ' ' ARG . 83.9 mtm-85 -34.51 -42.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.26 -53.69 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -46.06 -39.87 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.427 ' CE1' ' HG2' ' A' ' 63' ' ' ARG . 8.5 m-85 -66.72 -53.96 27.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.9 tpt85 -48.73 -36.25 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 69' ' ' LEU . 9.5 mp -57.99 -49.19 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 41.7 mtm -67.35 -25.26 65.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.36 -28.07 2.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.07 94.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -77.89 112.87 15.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.0 p -130.24 133.27 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.2 t -112.23 -54.99 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -147.4 -158.18 7.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -4.85 14.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.7 p -64.9 109.48 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.1 t -171.32 148.79 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -121.42 -45.66 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.377 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -121.0 82.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.03 164.09 36.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -129.74 151.91 49.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -69.43 176.93 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.03 -44.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.23 -59.01 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 pp -106.28 124.38 49.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.961 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -80.28 -54.32 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -125.79 -59.97 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -163.14 146.44 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.3 p -108.9 121.51 45.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -78.38 130.05 35.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -105.76 123.59 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 5.6 t -72.03 148.98 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -37.6 -56.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -51.22 -47.13 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -60.23 -51.9 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 37.1 mt -54.75 -49.24 71.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.72 -55.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 87.2 m -55.56 -48.63 74.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.38 -62.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.09 -37.59 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -48.26 -54.18 14.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -68.04 -33.89 75.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.505 ' CZ3' HG21 ' A' ' 32' ' ' THR . 8.0 t-105 -54.56 -31.77 57.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.62 -15.4 39.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.484 ' ND2' ' HZ1' ' A' ' 41' ' ' LYS . 12.7 t-20 -104.21 23.22 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.01 32.95 51.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.68 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.505 HG21 ' CZ3' ' A' ' 27' ' ' TRP . 50.8 p -116.36 40.46 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.4 m -140.19 145.1 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.472 ' CD2' ' HG2' ' A' ' 57' ' ' ARG . 9.5 mt -89.81 -35.19 15.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.54 172.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.437 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 17.6 p -59.03 -35.84 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.57 -36.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.4 m -109.78 -33.47 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 8.5 ttt-85 -37.29 -53.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.32 -43.96 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HZ1' ' ND2' ' A' ' 29' ' ' ASN . 8.0 mmmm -71.35 -44.18 65.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 95.4 mt -55.73 -37.43 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.7 -26.49 45.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.57 -63.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 7.8 p -47.49 -27.21 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.24 -45.19 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.461 HG22 ' N ' ' A' ' 48' ' ' GLU . 6.2 t -73.34 -22.51 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 47' ' ' THR . 20.9 tp10 -76.67 -40.02 50.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.22 -4.19 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 68.84 36.84 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -124.38 150.94 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' CYS . 31.1 t0 -63.99 133.08 52.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' ASP . 62.4 m -34.42 -49.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -43.73 -58.62 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' GLU . 49.8 mm -35.39 -37.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 90.4 t -88.2 -61.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 1.2 ttt-85 -38.83 -41.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.6 m -75.74 -43.87 44.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.431 ' CZ2' ' HG3' ' A' ' 63' ' ' ARG . 47.2 t90 -54.66 -38.08 66.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.41 -61.29 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.03 -42.71 31.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -63.12 -44.09 96.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 9.8 mmp_? -61.51 -54.94 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' ARG . 48.4 mtp180 -36.41 -54.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.406 ' HG2' ' CD2' ' A' ' 69' ' ' LEU . 31.2 ttp180 -60.18 -57.13 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ARG . 65.1 tttt -37.6 -47.67 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -67.06 -42.72 84.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' ARG . 4.9 tpp85 -59.46 -42.58 92.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.424 ' N ' HD22 ' A' ' 69' ' ' LEU . 4.5 mm? -40.37 -52.38 2.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.2 mtm -76.06 -26.11 56.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.39 42.87 2.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 73' ' ' GLU . 49.6 mm -80.72 140.98 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.462 ' N ' HG23 ' A' ' 72' ' ' ILE . 3.0 tp10 -77.3 87.51 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 75' ' ' SER . 7.5 p -115.86 -37.28 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.401 ' N ' HG12 ' A' ' 74' ' ' VAL . 51.0 p -56.74 -44.97 82.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.09 158.96 7.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 146.44 60.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.0 p -163.27 131.39 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 t -61.41 155.84 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -151.63 174.52 13.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.89 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -93.55 168.56 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.22 -117.73 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -163.53 110.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -123.4 157.32 33.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.06 130.25 2.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.17 65.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -101.81 128.36 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -48.2 98.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' OD1' ' NE ' ' A' ' 12' ' ' ARG . 23.8 t0 -158.38 175.17 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' NE ' ' OD1' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -96.6 173.03 7.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.4 p -109.02 93.77 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -83.86 114.86 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -95.21 161.28 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ASP . 50.9 m -113.12 149.11 34.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' SER . 27.6 t70 -36.55 -43.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -61.37 -60.59 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.62 -47.61 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 21' ' ' ALA . 44.9 mt -58.14 -52.05 67.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.71 -46.52 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 25.7 m -62.21 -49.33 76.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.6 mt -59.48 -60.76 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -45.67 -37.78 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -52.52 -54.55 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.571 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 91.0 m-85 -64.46 -36.65 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.534 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 2.8 t-105 -57.9 -25.24 60.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -80.24 -3.71 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -111.88 16.17 20.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.04 18.45 43.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.454 ' HE2' ' CD1' ' A' ' 60' ' ' ILE . 6.6 ttp -80.72 42.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 43.0 p -87.38 -40.84 14.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -95.97 172.64 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 35' ' ' GLY . 8.1 mt -109.71 -68.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.88 -118.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.43 HG11 ' N ' ' A' ' 38' ' ' CYS . 7.3 p -49.12 -40.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.43 ' N ' HG11 ' A' ' 37' ' ' VAL . 63.1 m -80.1 -38.79 30.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 19.5 ttp85 -39.47 -42.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.06 -51.53 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.42 -46.69 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.3 mt -52.26 -37.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.21 -26.62 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -84.32 -59.64 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.571 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 12.3 p -53.77 -23.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.31 -44.04 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.448 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.3 t -73.89 -22.55 59.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.448 ' N ' HG23 ' A' ' 47' ' ' THR . 11.4 tp10 -79.16 -40.94 29.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -89.21 -10.32 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.67 44.72 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.3 m -124.96 144.47 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 55' ' ' ILE . 13.5 t0 -51.59 133.58 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -38.62 -45.22 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -52.57 -42.56 64.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' ASP . 29.1 mm -49.66 -37.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 96.3 t -87.43 -69.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 33.0 mtp180 -39.94 -35.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.1 m -76.51 -46.18 27.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 48.7 t90 -53.25 -39.57 63.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.1 mt -59.71 -62.7 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.62 -46.63 81.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -51.45 -46.69 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -66.18 -60.51 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -46.51 -46.14 18.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 6.4 mmm180 -66.25 -56.22 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -45.06 -36.89 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -74.51 -54.57 7.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLY . 37.8 ttt180 -52.43 -50.6 62.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -41.78 -50.7 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.4 ttp -68.95 -25.94 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 107.29 38.89 2.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.3 mm -98.66 151.25 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -88.97 129.93 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 p -159.24 121.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -167.16 153.84 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.82 71.07 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.69 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.6 p -44.46 -47.08 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.0 p -39.24 -47.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -104.16 104.71 14.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.816 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -70.77 111.76 6.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.88 47.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 p -131.24 122.13 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -42.1 163.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.33 -94.53 1.86 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.53 41.28 5.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.65 152.46 38.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -165.49 139.04 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -86.15 111.03 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -54.95 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.1 p -99.84 140.38 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -118.64 154.58 32.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -94.77 117.8 30.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -72.03 174.1 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.03 -42.72 29.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -64.42 -57.26 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.17 -57.35 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.8 mt -48.06 -50.53 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.12 -46.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 66.7 m -58.95 -54.71 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.5 mt -59.33 -46.57 88.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' TRP . 53.1 mtpt -55.01 -51.0 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -39.94 -46.37 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -71.79 -35.03 69.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.508 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 3.5 t-105 -54.88 -26.67 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -18.91 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -103.04 26.06 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.4 33.88 61.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -75.18 5.17 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.432 ' HB ' ' CZ2' ' A' ' 27' ' ' TRP . 4.3 t -81.74 39.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -142.82 147.6 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' GLY . 11.4 mt -87.18 -33.15 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.33 143.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.1 t -37.88 -44.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.844 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.441 ' C ' ' O ' ' A' ' 36' ' ' SER . 27.6 m -34.06 -43.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.422 ' N ' HG21 ' A' ' 37' ' ' VAL . 61.8 m -84.57 -37.25 21.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 36' ' ' SER . 32.9 ttp180 -37.27 -44.95 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -56.67 -53.03 62.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.19 -45.31 93.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 55.4 mt -50.43 -40.21 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -54.06 -26.49 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -83.43 -63.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.446 ' CG1' HG11 ' A' ' 56' ' ' VAL . 9.6 p -49.85 -27.5 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.71 -45.6 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.457 HG21 ' N ' ' A' ' 48' ' ' GLU . 5.5 t -72.46 -22.09 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.457 ' N ' HG21 ' A' ' 47' ' ' THR . 9.5 tp10 -78.81 -40.7 32.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.17 -6.85 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.68 46.17 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.1 m -125.51 147.84 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.91 123.8 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -42.35 -36.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.35 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.31 -41.56 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.446 HG11 ' CG1' ' A' ' 45' ' ' VAL . 74.3 t -71.4 -58.91 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -47.43 -37.3 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.3 m -71.98 -36.82 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -59.06 -40.23 84.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 90.1 mt -59.35 -64.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.91 38.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.8 -56.36 23.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.55 -53.87 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -40.36 -46.45 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -56.62 -49.81 73.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 56.2 tttp -42.77 -59.57 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' ARG . 72.0 m-85 -67.14 -63.03 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLY . 18.1 mtp180 -35.05 -48.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.8 mt -41.13 -50.72 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 38.7 ttp -71.19 -25.52 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 105.09 47.02 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.497 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 19.9 mm -94.54 138.66 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -96.7 78.92 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.7 m -78.11 -19.25 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 m -117.29 81.04 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -161.07 83.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -127.21 128.32 45.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 m -147.73 160.24 42.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.433 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -51.04 158.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -123.19 147.81 46.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.7 179.18 38.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -131.93 163.17 28.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -47.27 128.61 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.26 81.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 144.5 41.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.441 ' CD2' ' HB3' ' A' ' 10' ' ' GLN . 7.8 tt -58.42 -72.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.441 ' HB3' ' CD2' ' A' ' 9' ' ' LEU . 21.8 tt0 -175.56 106.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLN . 1.9 m-20 -36.87 -48.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -70.5 96.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 t -93.34 129.92 39.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -122.05 130.75 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -128.44 143.65 51.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -83.63 147.37 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -41.06 -51.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -52.52 -55.94 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -58.18 9.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ALA . 14.3 mt -40.14 -51.64 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.06 -52.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -57.94 -57.46 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD23 ' CG2' ' A' ' 45' ' ' VAL . 13.1 mt -55.7 -59.66 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.62 -44.91 9.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.95 -45.46 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 84.4 m-85 -69.5 -37.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.1 -19.37 43.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.69 -3.92 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -113.15 16.08 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.5 29.19 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.435 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.9 ttp -83.01 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.488 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 38.3 p -83.61 -35.37 24.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -100.91 174.15 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 35' ' ' GLY . 10.7 mt -105.46 -71.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.03 -133.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -118.97 -41.48 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.916 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.78 -29.43 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.5 m -99.74 -32.55 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -41.37 -43.93 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.97 -54.98 27.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' HE3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -50.66 -48.53 58.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 26.9 mt -53.88 -42.88 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -54.4 -20.73 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.55 -63.61 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.06 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.563 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 11.6 p -47.88 -27.79 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.76 -47.05 27.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 48' ' ' GLU . 5.6 t -71.75 -22.24 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' N ' HG21 ' A' ' 47' ' ' THR . 10.7 tp10 -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.0 mt -92.59 -4.13 53.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 56.48 46.44 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.15 143.42 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.11 121.99 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.3 p -40.26 -40.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.24 -45.68 68.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 83.9 mt -50.75 -43.5 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.45 HG13 ' CG1' ' A' ' 45' ' ' VAL . 85.8 t -74.75 -64.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -43.25 -38.71 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.3 m -72.46 -38.19 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -59.4 -39.17 82.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.3 mt -61.14 -64.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.65 -42.21 20.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -62.85 -46.86 85.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 11.1 tpt180 -54.7 -59.31 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 64' ' ' ARG . 9.6 mtp-105 -40.49 -32.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -72.82 -52.64 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.74 -30.58 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CE2' ' HG3' ' A' ' 63' ' ' ARG . 3.6 m-85 -71.97 -55.63 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -54.51 -41.62 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.24 -43.15 70.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 63.1 ttp -70.72 -25.96 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.5 56.25 0.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 50.6 mm -108.32 130.72 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.148 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -81.64 50.02 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.5 p -80.68 134.99 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.5 p -108.85 176.27 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.451 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . 156.38 -59.97 0.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.451 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 53.5 Cg_endo -69.78 -10.66 29.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.609 2.206 . . . . 0.0 112.369 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -76.34 103.71 6.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 m -104.39 -47.71 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -165.1 131.55 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 p -81.77 163.26 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.1 122.01 5.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -135.4 149.19 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -43.79 156.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.72 111.07 3.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.11 -58.44 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 111.08 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.2 mt -119.38 149.43 41.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -85.83 97.76 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -123.15 104.14 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -60.85 151.03 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -94.76 124.38 38.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -104.28 125.61 50.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -83.34 150.2 26.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -90.21 162.1 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.26 -43.82 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -62.15 -53.2 58.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.18 -47.53 80.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.1 mt -57.25 -50.66 72.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.07 -49.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.448 ' CG2' HG22 ' A' ' 45' ' ' VAL . 26.0 m -59.52 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.445 HD21 ' CE3' ' A' ' 59' ' ' TRP . 14.6 mt -53.38 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -44.19 -42.88 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -47.57 -55.03 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.451 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 97.1 m-85 -65.63 -37.1 85.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.471 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 13.6 t-105 -57.75 -26.18 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.82 -3.77 52.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -110.95 18.1 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.9 15.34 56.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.433 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.3 ttp -79.47 44.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 30.8 p -88.21 -41.05 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -97.64 173.73 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.9 mt -108.39 -68.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.8 -116.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -129.28 -50.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.455 HG11 ' N ' ' A' ' 38' ' ' CYS . 7.6 p -47.17 -42.28 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.455 ' N ' HG11 ' A' ' 37' ' ' VAL . 64.5 m -77.22 -39.57 48.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 38' ' ' CYS . 13.9 ttp85 -37.98 -43.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -55.44 -51.84 65.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -56.47 -48.7 76.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 18.8 mt -51.4 -41.42 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.38 -22.56 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.92 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.451 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 8.1 p -51.88 -24.52 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.82 -43.41 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 48' ' ' GLU . 5.9 t -74.74 -22.42 58.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' N ' HG23 ' A' ' 47' ' ' THR . 17.0 tp10 -80.8 -37.6 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.8 mt -91.06 -4.68 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 m120 60.71 44.73 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.03 145.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -53.43 133.26 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.7 m -38.93 -48.38 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -43.51 -43.48 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -49.78 -41.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 59' ' ' TRP . 78.9 t -83.27 -67.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -38.84 -41.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.9 m -71.52 -37.94 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.49 ' CZ2' ' HD2' ' A' ' 63' ' ' ARG . 37.5 t90 -62.76 -43.9 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' THR . 81.7 mt -52.48 -59.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.66 -42.94 59.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -59.7 -47.05 87.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 45.5 ttt85 -54.47 -52.97 60.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -46.63 -49.4 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' CD ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.89 -56.35 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -42.28 -56.67 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -48.46 -70.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -50.34 -30.24 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.463 HD12 ' CD ' ' A' ' 65' ' ' ARG . 1.2 tt -59.33 -51.71 68.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 39.0 ttp -74.39 -25.0 59.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.63 42.09 1.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.2 mm -102.91 129.47 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -76.44 101.53 5.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.2 p -114.29 41.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.9 t -101.01 155.93 17.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.17 -158.21 8.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 86.76 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.3 m 62.79 41.44 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -51.18 142.71 12.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -133.39 157.38 45.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -71.91 123.29 22.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.03 99.88 0.81 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -132.64 158.63 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 t -167.03 138.42 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.21 106.84 1.03 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.01 132.8 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -121.56 94.58 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 66.45 41.96 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -95.5 41.86 1.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.457 ' HG2' ' N ' ' A' ' 13' ' ' THR . 24.7 ttt180 -76.91 150.4 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.457 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 46.1 p -134.17 163.35 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -124.91 148.54 48.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -101.23 154.6 18.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 t -95.04 151.98 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -45.56 -42.44 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.476 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 3.4 ptp180 -66.07 -36.18 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 75.6 m-20 -72.25 -56.76 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.43 -47.06 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.25 -51.48 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.8 m -56.24 -48.22 76.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -41.87 -47.88 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.81 -37.59 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 27' ' ' TRP . 3.2 t-105 -53.22 -30.26 36.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -57.5 -21.99 41.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -100.72 27.32 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.67 74.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttp -71.33 0.63 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.5 t -81.82 39.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -139.13 130.96 27.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' GLY . 12.7 mt -73.12 -33.69 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.42 134.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ARG . 9.4 t -40.78 -44.47 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 38' ' ' CYS . 7.5 p -36.6 -41.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.421 ' N ' HG12 ' A' ' 37' ' ' VAL . 8.2 m -88.83 -31.96 18.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' SER . 37.1 ttp180 -40.14 -38.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.97 -49.34 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.17 -46.71 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 64.2 mt -52.07 -37.72 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.17 -26.78 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.63 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 p -48.45 -26.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.14 -46.12 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.454 HG21 ' N ' ' A' ' 48' ' ' GLU . 5.4 t -72.14 -22.19 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.454 ' N ' HG21 ' A' ' 47' ' ' THR . 11.2 tp10 -80.29 -36.9 33.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.31 -6.59 52.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 63.61 41.88 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.47 147.58 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -48.31 126.0 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 p -48.85 -24.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -70.32 -43.11 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.0 mt -51.69 -36.74 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 66.7 t -75.64 -57.17 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 mtp180 -49.25 -38.31 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -72.45 -38.23 68.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -57.34 -39.39 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.7 mt -61.35 -61.59 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.15 -37.66 17.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -67.11 -59.59 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -42.74 -56.05 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -40.8 -46.05 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.43 ' CD ' HD13 ' A' ' 69' ' ' LEU . 2.5 tmm_? -59.51 -61.08 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 65' ' ' ARG . 18.5 tttp -36.7 -36.74 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 69' ' ' LEU . 71.5 m-85 -86.81 -70.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -38.77 -27.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 67' ' ' TYR . 1.4 tt -56.21 -50.58 70.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.418 ' CE ' HD13 ' A' ' 72' ' ' ILE . 43.8 mtm -77.37 -25.32 50.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.96 36.07 1.9 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.418 HD13 ' CE ' ' A' ' 70' ' ' MET . 67.0 mt -107.09 114.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.084 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -89.28 95.38 10.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 30.3 m -53.68 119.54 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.0 m -158.62 166.74 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.85 73.8 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.65 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t 41.42 42.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.0 t -112.13 153.58 26.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.905 0.384 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ASP . 40.9 m -112.01 152.62 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' SER . 10.2 m-20 -36.25 -47.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.26 -51.44 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -55.97 -49.38 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.6 -47.41 83.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.82 -44.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.605 HG22 HG23 ' A' ' 45' ' ' VAL . 94.8 m -67.6 -54.43 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.463 HD21 HG13 ' A' ' 56' ' ' VAL . 6.5 mt -55.23 -61.87 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -48.48 -32.01 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.3 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.573 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 9.7 t-105 -57.0 -25.9 59.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -8.72 29.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -112.08 17.32 19.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.0 33.15 27.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.69 48.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.57 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 71.1 p -100.04 -31.47 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -72.57 157.12 38.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.646 HD21 ' O ' ' A' ' 57' ' ' ARG . 14.8 mt -106.95 -35.35 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.5 172.47 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 m -50.1 -33.46 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 p -44.01 -42.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 m -104.64 -32.57 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.725 ' HA ' HD12 ' A' ' 42' ' ' ILE . 14.9 ttt180 -39.43 -49.92 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -41.22 -45.7 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.86 -41.62 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 39' ' ' ARG . 76.8 mt -54.81 -42.5 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -53.36 -22.79 8.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.468 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.92 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.605 HG23 HG22 ' A' ' 22' ' ' THR . 8.5 p -51.01 -27.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.18 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' ALA . 3.5 t -73.3 -22.37 60.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -77.96 -41.33 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.63 -12.86 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 67.87 44.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.9 m -127.74 149.28 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.72 122.54 7.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.3 p -40.57 -41.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.97 -48.31 67.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.0 mt -48.08 -37.82 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG13 HD21 ' A' ' 23' ' ' LEU . 55.2 t -78.5 -59.74 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.646 ' O ' HD21 ' A' ' 34' ' ' LEU . 44.4 mtp180 -43.12 -41.27 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.3 m -67.68 -41.99 82.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.94 -39.63 71.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.95 -64.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.03 -40.49 58.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -56.19 -58.37 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.573 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 54.9 ttt180 -47.73 -56.69 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' ARG . 38.5 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -106.66 163.48 12.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -48.67 -44.64 37.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -59.92 -53.35 58.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.05 -59.88 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -41.7 -46.95 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.22 -39.85 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 45' ' ' VAL . 74.5 m -67.41 -57.26 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD21 HG13 ' A' ' 56' ' ' VAL . 7.7 mt -55.11 -59.21 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -47.46 -41.59 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -48.68 -45.75 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.83 -38.36 86.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.56 ' CH2' HG22 ' A' ' 32' ' ' THR . 5.9 t-105 -54.45 -26.14 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.56 -8.73 15.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -115.52 18.91 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 44.81 11.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -84.06 34.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.56 HG22 ' CH2' ' A' ' 27' ' ' TRP . 34.2 p -89.56 -32.89 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -71.99 145.44 48.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD22 ' CG ' ' A' ' 57' ' ' ARG . 45.3 mt -99.6 -29.53 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.18 161.89 0.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.419 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 2.0 t -41.58 -37.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 38' ' ' CYS . 8.7 p -40.08 -43.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' N ' HG13 ' A' ' 37' ' ' VAL . 33.6 m -109.96 -28.76 8.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 13.6 ttm180 -38.95 -42.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -55.5 -43.31 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' CYS . 5.7 mmpt? -65.54 -47.23 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.485 HD11 ' CD1' ' A' ' 60' ' ' ILE . 62.0 mt -53.53 -36.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -58.33 -21.31 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.566 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.38 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG23 HG22 ' A' ' 22' ' ' THR . 9.4 p -47.24 -26.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.77 -40.36 25.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 44' ' ' ALA . 3.0 t -75.31 -22.27 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -80.31 -39.31 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.1 mt -88.67 -6.62 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m120 66.38 39.5 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.1 m -121.25 149.95 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.27 124.26 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.7 p -39.91 -33.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.0 -48.21 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -49.14 -42.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG1' HG23 ' A' ' 42' ' ' ILE . 96.1 t -73.33 -56.99 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.585 ' CG ' HD22 ' A' ' 34' ' ' LEU . 3.0 ttt-85 -43.67 -38.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.1 m -75.85 -42.96 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -53.66 -44.69 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.485 ' CD1' HD11 ' A' ' 42' ' ' ILE . 92.1 mt -56.65 -58.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.91 -35.66 32.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -72.82 -53.77 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -47.73 -51.14 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 2.0 m -105.36 150.32 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -34.54 -42.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -59.99 -58.85 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.78 -58.76 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -41.96 -49.65 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.15 -43.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.565 HG22 HG23 ' A' ' 45' ' ' VAL . 42.8 m -66.68 -54.02 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.476 HD21 HG22 ' A' ' 56' ' ' VAL . 22.3 mt -54.27 -50.36 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -56.03 -48.6 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -45.31 -42.31 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.47 -33.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.468 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 6.2 t-105 -57.75 -24.91 59.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.22 -4.3 21.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -116.17 15.88 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.13 33.88 11.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.63 32.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' HG23 ' A' ' 60' ' ' ILE . 2.5 t -111.99 52.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 60' ' ' ILE . 1.1 t -160.39 156.2 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.6 mt -94.13 -35.19 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.67 140.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.474 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -44.79 -27.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.8 m -49.66 -38.47 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.2 -23.16 15.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.741 ' HA ' HD12 ' A' ' 42' ' ' ILE . 23.9 ttp180 -47.66 -42.49 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -53.75 -47.02 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -64.42 -40.44 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 39' ' ' ARG . 53.0 mt -57.28 -39.49 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -55.08 -19.63 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.524 ' O ' HG22 ' A' ' 47' ' ' THR . . . -91.98 -63.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 22' ' ' THR . 8.0 p -49.42 -27.56 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.45 -46.66 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 44' ' ' ALA . 4.1 t -70.4 -20.55 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -79.6 -38.16 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD21 ' CB ' ' A' ' 22' ' ' THR . 98.4 mt -90.34 -7.05 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 62.1 42.42 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -123.61 148.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 1.7 m-20 -48.38 123.46 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -44.99 -42.64 8.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.94 -41.01 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 52' ' ' ASP . 89.0 mt -52.89 -41.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.521 HG11 HG23 ' A' ' 42' ' ' ILE . 70.0 t -72.31 -60.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.567 ' CG ' HD13 ' A' ' 42' ' ' ILE . 50.0 mtp180 -47.38 -36.36 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.3 m -74.83 -41.02 60.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -56.4 -38.24 71.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.557 HG23 ' HA ' ' A' ' 32' ' ' THR . 77.6 mt -62.13 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -46.01 -45.39 14.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.86 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' ARG . 17.1 mmt180 -62.1 -55.12 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' ARG . 61.9 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 39.9 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.358 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.6 t -107.83 143.66 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.9 OUTLIER -34.74 -46.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.44 -51.75 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.25 -51.91 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 36.3 mt -46.09 -52.2 12.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.02 -43.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 HG23 ' A' ' 45' ' ' VAL . 37.6 m -64.72 -50.25 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' CE3' ' A' ' 59' ' ' TRP . 10.8 mt -59.32 -57.8 11.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.5 -37.12 16.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -52.79 -52.16 57.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.452 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 35.5 m-85 -65.47 -33.86 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CZ3' HG22 ' A' ' 32' ' ' THR . 9.2 t-105 -56.1 -28.57 58.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.95 -8.85 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.56 17.3 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.12 33.23 29.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -76.31 48.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.651 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 50.7 p -114.79 37.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.9 m -142.94 152.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.47 -30.86 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.24 169.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -56.16 -33.21 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -45.53 -38.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -107.9 -30.79 8.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -42.02 -47.13 4.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -47.36 -45.07 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -71.68 -39.27 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.624 HG21 ' HG3' ' A' ' 57' ' ' ARG . 67.8 mt -61.46 -37.92 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -56.77 -20.83 24.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.49 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.634 HG13 HG21 ' A' ' 56' ' ' VAL . 10.7 p -46.39 -23.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.56 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.8 t -75.07 -22.43 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -81.21 -40.91 23.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.95 -8.72 57.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.24 42.65 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.43 145.66 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -53.6 134.12 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.7 p -39.9 -39.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -57.08 -42.33 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.565 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 42.2 mm -49.93 -36.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.634 HG21 HG13 ' A' ' 45' ' ' VAL . 93.7 t -86.3 -64.63 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.624 ' HG3' HG21 ' A' ' 42' ' ' ILE . 2.5 mtp-105 -39.63 -35.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.5 m -74.15 -38.69 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.473 ' N ' ' O ' ' A' ' 56' ' ' VAL . 68.7 t90 -61.85 -37.38 84.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.543 ' CD1' HD11 ' A' ' 42' ' ' ILE . 74.3 mt -62.25 -63.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.22 -43.5 25.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -65.63 -59.53 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 14.6 tpp180 -45.06 -54.0 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.6 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 m -74.41 150.78 39.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.36 -55.83 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -51.26 -52.18 47.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' LEU . 13.2 m-20 -59.71 -62.2 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.6 mt -36.69 -52.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.96 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.76 HG22 HG23 ' A' ' 45' ' ' VAL . 88.0 m -56.63 -48.63 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.408 HD21 HG22 ' A' ' 56' ' ' VAL . 11.3 mt -59.52 -61.28 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -48.33 -34.54 10.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -52.46 -48.41 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -69.3 -34.74 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.663 ' CZ3' HG22 ' A' ' 32' ' ' THR . 4.9 t-105 -55.7 -28.04 53.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -11.13 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -108.87 19.22 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.81 34.78 26.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -78.89 46.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.663 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 56.9 p -114.1 37.95 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -138.44 152.11 48.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.61 -25.63 15.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.75 173.58 0.31 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -61.01 -31.12 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.915 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -46.46 -32.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -109.85 -33.8 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -38.05 -54.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -45.57 -43.84 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -68.74 -48.55 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.515 HG21 ' HG3' ' A' ' 57' ' ' ARG . 32.2 mt -55.07 -35.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.24 -21.78 49.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.546 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.88 -62.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.76 HG23 HG22 ' A' ' 22' ' ' THR . 8.0 p -47.82 -26.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.43 -44.65 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.1 t -73.64 -21.47 60.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -77.13 -38.12 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.73 -7.11 57.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.57 39.96 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.09 169.38 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -69.41 117.01 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 m -41.23 -48.06 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -42.14 -44.0 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.5 mt -51.75 -42.51 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG21 HG13 ' A' ' 45' ' ' VAL . 73.1 t -69.41 -58.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 42' ' ' ILE . 20.4 mtp180 -45.58 -45.14 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.7 m -68.13 -35.35 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -64.13 -39.82 94.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.475 ' CD1' HD11 ' A' ' 42' ' ' ILE . 95.3 mt -57.85 -60.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.3 -41.58 62.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -56.11 -58.73 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.5 ttm180 -48.41 -61.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' ARG . 57.6 mtp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -87.3 157.3 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -63.01 -58.92 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.56 -47.84 75.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.5 mt -52.68 -48.39 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.33 -55.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 45' ' ' VAL . 88.5 m -53.23 -52.11 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 56' ' ' VAL . 15.1 mt -61.39 -60.41 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -45.12 -35.69 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -53.75 -51.93 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.3 m-85 -68.82 -32.51 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 32' ' ' THR . 18.3 t-105 -56.53 -26.1 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.25 -12.73 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 18.4 t-20 -106.04 22.21 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.66 33.21 43.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.41 48.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.589 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 69.5 p -105.48 -34.47 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -78.47 141.72 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLY . 5.9 mt -83.52 -28.59 28.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.25 152.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -51.13 -24.13 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.7 p -52.87 -32.29 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.0 m -105.9 -31.95 8.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.636 ' HA ' HD12 ' A' ' 42' ' ' ILE . 19.2 ttm180 -36.94 -43.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -45.27 -54.21 7.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -62.12 -43.9 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' ARG . 86.4 mt -53.67 -43.93 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.67 -15.33 11.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 47' ' ' THR . . . -94.46 -57.64 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 22' ' ' THR . 11.9 p -54.69 -24.98 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.81 -42.51 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.2 t -76.21 -21.73 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -77.28 -37.55 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -89.98 -4.69 57.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 62.63 41.15 9.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -124.23 176.16 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 120.68 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.6 m -39.43 -46.34 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -42.79 -45.83 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -55.25 -40.63 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 23' ' ' LEU . 71.1 t -73.79 -58.67 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.605 ' HG3' HG21 ' A' ' 42' ' ' ILE . 33.5 mtp180 -47.98 -38.01 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.2 m -73.2 -38.61 66.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 63' ' ' ARG . 46.3 t90 -61.03 -37.56 83.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.62 -63.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.479 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -51.7 -48.38 50.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -58.91 -41.56 87.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 28.4 ttt180 -59.71 -55.94 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.479 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 29.6 mtm105 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -76.23 147.24 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -38.72 -38.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -70.67 -51.13 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.99 -52.56 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 20.4 mt -48.7 -54.43 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.34 -43.47 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 HG23 ' A' ' 45' ' ' VAL . 57.1 m -67.41 -51.85 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.46 -51.96 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -55.84 -45.65 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -46.95 -44.46 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -72.59 -35.99 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.465 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 2.7 t-105 -53.19 -32.33 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.47 -21.19 35.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.32 26.82 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.1 18.95 76.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 ttp -56.39 -24.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.487 ' HA ' HG23 ' A' ' 60' ' ' ILE . 4.3 t -42.51 -23.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' MET . 1.3 t -79.54 155.83 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 57' ' ' ARG . 15.2 mt -107.38 -30.93 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.4 147.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 64.6 m -41.48 -42.93 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p -39.49 -40.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.6 m -96.44 -25.29 15.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.801 ' HA ' HD12 ' A' ' 42' ' ' ILE . 24.3 ttm180 -43.81 -38.56 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.14 -52.66 64.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -56.72 -43.44 80.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 39' ' ' ARG . 40.6 mt -52.48 -37.3 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.92 -23.8 55.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.97 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 42' ' ' ILE . 11.8 p -49.3 -24.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.57 -45.77 20.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -71.97 -22.25 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -78.06 -36.35 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.5 mt -94.07 -7.58 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 m120 62.34 44.6 7.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.93 143.59 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.642 ' N ' HD12 ' A' ' 55' ' ' ILE . 6.5 t70 -44.6 126.26 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.1 p -46.05 -40.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -56.03 -42.63 76.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.642 HD12 ' N ' ' A' ' 52' ' ' ASP . 31.1 mt -52.24 -41.57 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.76 -56.8 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 34' ' ' LEU . 40.6 mtp85 -48.3 -40.57 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -71.48 -38.14 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -63.26 -45.64 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.487 HG23 ' HA ' ' A' ' 32' ' ' THR . 99.1 mt -47.18 -64.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.476 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -55.69 -33.93 60.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.64 -52.75 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -58.64 -43.11 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.476 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 59.2 mtm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.446 ' OG ' ' CZ ' ' A' ' 18' ' ' ARG . 13.3 t -94.36 149.34 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.48 -46.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' CZ ' ' OG ' ' A' ' 16' ' ' SER . 10.7 ptt-85 -56.12 -47.63 77.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.6 m-20 -63.34 -63.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ASP . 30.5 mt -35.6 -45.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.81 -48.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.607 HG22 HG23 ' A' ' 45' ' ' VAL . 47.7 m -59.46 -58.6 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.625 HD21 HG13 ' A' ' 56' ' ' VAL . 11.7 mt -55.23 -62.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -43.04 -38.06 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -51.79 -51.6 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.69 -33.4 75.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.459 ' CH2' HG22 ' A' ' 32' ' ' THR . 34.9 t-105 -54.84 -30.91 58.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -15.99 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -105.13 25.62 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.36 61.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.0 ttp -78.15 46.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.459 HG22 ' CH2' ' A' ' 27' ' ' TRP . 72.1 p -94.48 -38.11 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.38 156.02 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD21 ' O ' ' A' ' 57' ' ' ARG . 8.2 mt -106.14 -34.62 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.99 177.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' VAL . 3.3 m -49.58 -42.42 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.837 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 16.4 m -36.12 -38.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.65 -35.85 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HA ' HD12 ' A' ' 42' ' ' ILE . 12.0 ttt180 -37.17 -45.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -46.03 -45.58 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -74.71 -39.15 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 39' ' ' ARG . 52.7 mt -59.62 -36.97 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.6 -25.17 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.567 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.67 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.607 HG23 HG22 ' A' ' 22' ' ' THR . 9.4 p -47.67 -24.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.6 -43.31 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.0 t -75.07 -22.37 58.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -78.04 -40.85 37.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.05 -4.67 59.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m120 61.57 43.89 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.46 147.69 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 130.52 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 p -38.1 -39.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.64 -48.9 74.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mm -42.38 -44.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.625 HG13 HD21 ' A' ' 23' ' ' LEU . 70.5 t -77.9 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.544 ' O ' HD21 ' A' ' 34' ' ' LEU . 65.6 mtm180 -37.96 -42.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.6 m -65.6 -42.07 92.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 76.0 t90 -56.7 -43.31 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.7 mt -56.13 -61.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.48 78.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -50.31 -48.94 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.54 -44.78 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.4 t -112.1 150.1 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 5.2 m-20 -36.74 -50.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -55.39 -52.11 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.65 -53.91 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -50.85 -51.0 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 m -58.64 -47.39 84.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 HG21 ' A' ' 45' ' ' VAL . 18.0 mt -59.29 -57.29 13.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -49.78 -39.16 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -52.79 -48.57 66.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.93 -37.13 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.442 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 3.7 t-105 -50.91 -34.98 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -26.88 26.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 25.2 t-20 -93.36 31.08 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.9 70.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.94 -28.59 66.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.571 ' HA ' HG23 ' A' ' 60' ' ' ILE . 9.3 t -42.46 -28.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -87.66 146.37 25.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' GLY . 6.9 mt -93.53 -74.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.4 -129.94 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 m -123.9 -39.83 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.19 -39.48 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.07 -35.48 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.715 ' HA ' HD12 ' A' ' 42' ' ' ILE . 68.9 ttt180 -38.8 -48.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.44 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -51.56 -48.2 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.931 HG21 ' HG3' ' A' ' 57' ' ' ARG . 17.3 mt -53.15 -36.58 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -56.68 -25.1 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.21 -64.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.497 HG13 HG21 ' A' ' 56' ' ' VAL . 10.8 p -46.23 -27.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.27 -44.33 46.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.1 t -74.09 -22.59 59.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -77.63 -39.25 45.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.8 mt -88.79 -1.37 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 63.18 40.7 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.17 143.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -53.11 136.78 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.52 -45.88 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.43 -41.22 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.5 mm -52.13 -40.53 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 45' ' ' VAL . 72.7 t -85.21 -63.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.931 ' HG3' HG21 ' A' ' 42' ' ' ILE . 43.2 mtp180 -37.33 -38.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 48.8 m -73.53 -42.95 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 27.5 t90 -59.94 -38.82 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.571 HG23 ' HA ' ' A' ' 32' ' ' THR . 81.5 mt -54.09 -64.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.08 -44.34 50.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -52.1 -43.84 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -64.03 -45.51 88.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 t -106.42 157.64 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.97 -45.35 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -63.91 -48.25 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.59 -54.96 41.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' LEU . 34.8 mt -52.48 -49.67 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.88 -36.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.71 HG22 HG23 ' A' ' 45' ' ' VAL . 31.3 m -72.04 -39.7 68.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD22 ' CE3' ' A' ' 59' ' ' TRP . 12.1 mt -64.17 -66.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -45.02 -43.02 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -42.64 -49.18 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.03 -35.81 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CH2' HG22 ' A' ' 32' ' ' THR . 4.8 t-105 -54.84 -29.48 55.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -65.6 -7.09 13.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -112.44 13.92 20.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 32.68 12.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -79.67 44.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' CH2' ' A' ' 27' ' ' TRP . 58.5 p -111.75 53.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.71 159.82 43.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.486 ' CD2' ' HG2' ' A' ' 57' ' ' ARG . 9.5 mt -108.08 -26.39 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.03 -179.26 3.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 m -57.27 -30.5 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 m -47.75 -37.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 m -108.56 -37.51 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.65 -50.38 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.07 -47.82 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -71.75 -44.6 63.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.663 HD11 HD12 ' A' ' 60' ' ' ILE . 56.9 mt -51.18 -43.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.99 -23.94 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.25 -62.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.71 HG23 HG22 ' A' ' 22' ' ' THR . 9.8 p -48.86 -27.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.56 24.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.0 t -71.63 -21.24 61.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -82.15 -33.68 29.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.707 HD11 ' HB ' ' A' ' 22' ' ' THR . 80.0 mt -95.62 -2.13 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.63 44.38 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.79 153.83 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -57.85 123.92 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.1 p -45.14 -28.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -66.19 -43.2 87.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -50.91 -40.47 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG21 HG13 ' A' ' 45' ' ' VAL . 96.8 t -72.77 -55.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 7.7 ttp180 -44.88 -43.65 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.1 m -70.32 -40.54 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 23' ' ' LEU . 80.2 t90 -55.09 -40.16 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.663 HD12 HD11 ' A' ' 42' ' ' ILE . 95.2 mt -62.77 -62.27 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.64 -40.46 55.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.5 -50.98 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -54.44 -53.72 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 21.5 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 m -102.94 156.19 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.4 -55.43 4.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -48.03 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.693 ' OD1' HD22 ' A' ' 49' ' ' LEU . 8.3 m-20 -58.32 -65.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' ASP . 14.7 mt -34.42 -51.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.85 -51.18 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.981 HG22 HG23 ' A' ' 45' ' ' VAL . 59.9 m -57.17 -54.28 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.77 HD21 HG13 ' A' ' 56' ' ' VAL . 13.2 mt -60.42 -58.92 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -51.05 -33.42 25.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -57.84 -46.4 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -68.12 -32.03 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.606 ' CH2' HG22 ' A' ' 32' ' ' THR . 8.2 t-105 -57.0 -27.38 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.72 -8.0 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -111.79 18.91 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.87 33.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.409 ' O ' ' HE3' ' A' ' 31' ' ' MET . 4.5 ttp -77.36 48.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.606 HG22 ' CH2' ' A' ' 27' ' ' TRP . 64.2 p -106.8 -31.68 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -77.73 140.01 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -83.33 -31.79 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.55 158.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 3.2 m -47.44 -39.35 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' SER . 4.3 p -37.13 -34.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' LYS . 70.9 m -106.72 -35.12 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.688 ' HA ' HD12 ' A' ' 42' ' ' ILE . 49.0 ttt180 -37.46 -39.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -58.52 -45.12 89.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . 20.8 mmmt -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 39' ' ' ARG . 25.6 mt -51.32 -44.99 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.0 -22.05 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 47' ' ' THR . . . -87.38 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.981 HG23 HG22 ' A' ' 22' ' ' THR . 8.1 p -48.54 -27.18 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.56 -45.53 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.6 t -72.15 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.64 -31.7 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.693 HD22 ' OD1' ' A' ' 19' ' ' ASP . 86.2 mt -96.06 -5.8 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 60.48 42.7 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 m -124.91 169.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -71.34 121.11 17.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 m -39.93 -46.04 1.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -44.85 -53.02 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.499 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 73.8 mt -47.47 -39.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.77 HG13 HD21 ' A' ' 23' ' ' LEU . 74.9 t -73.33 -59.93 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.556 ' CG ' HD13 ' A' ' 42' ' ' ILE . 38.4 mtp85 -48.97 -36.95 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.8 m -73.28 -37.94 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.84 -34.82 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.21 -60.43 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.12 -41.28 45.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.06 -49.02 79.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -53.63 -58.81 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.853 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -73.68 140.69 46.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.31 -48.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -58.59 -53.41 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.38 -51.37 65.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 21.6 mt -50.3 -52.71 34.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.39 -47.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -62.58 -55.41 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD21 HG13 ' A' ' 56' ' ' VAL . 11.3 mt -53.24 -60.87 2.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -48.4 -37.51 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -54.56 -46.02 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -69.17 -36.55 77.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.557 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 5.0 t-105 -52.03 -32.68 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -25.75 25.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -94.33 27.91 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.65 73.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.412 ' CE ' HG12 ' A' ' 60' ' ' ILE . 3.5 ttp -54.46 -22.72 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.557 ' HB ' ' CH2' ' A' ' 27' ' ' TRP . 3.1 t -43.53 -28.79 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -68.92 145.53 53.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD21 ' O ' ' A' ' 57' ' ' ARG . 12.9 mt -97.84 -37.62 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.34 150.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 15.6 t -41.5 -46.13 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.4 m -34.09 -38.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' SER . 2.1 m -97.84 -34.43 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.814 ' HA ' HD12 ' A' ' 42' ' ' ILE . 35.6 ttp85 -38.85 -39.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.51 -45.01 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 39' ' ' ARG . 52.0 mt -51.02 -41.95 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.0 -26.35 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.31 -61.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 42' ' ' ILE . 9.8 p -51.55 -23.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.91 -44.35 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -72.1 -22.12 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -77.79 -39.74 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.37 -5.38 58.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 t30 66.22 39.52 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -127.06 140.18 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.42 129.99 16.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -42.25 -53.15 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -41.82 -45.14 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.95 -40.05 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.605 HG13 HD21 ' A' ' 23' ' ' LEU . 89.9 t -77.83 -60.81 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.57 ' O ' HD21 ' A' ' 34' ' ' LEU . 1.6 ttt-85 -44.3 -36.71 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.4 m -73.92 -43.76 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -59.74 -39.52 85.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.512 HG23 ' HA ' ' A' ' 32' ' ' THR . 90.1 mt -51.45 -63.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.15 -43.13 56.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -45.61 -44.3 12.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -63.66 -55.7 21.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' OG1' ' A' ' 32' ' ' THR . 9.9 mtt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.857 0.361 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . 74.3 m -110.49 155.36 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' SER . 23.5 m-20 -37.58 -43.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -60.82 -55.53 31.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -56.37 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.4 mt -41.97 -51.27 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.04 -52.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.447 HG22 HG23 ' A' ' 45' ' ' VAL . 41.5 m -56.03 -50.26 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.6 HD23 HG21 ' A' ' 45' ' ' VAL . 16.5 mt -59.92 -62.17 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -44.83 -33.99 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.9 -52.37 63.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.561 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 33.9 m-85 -66.02 -33.54 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.519 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 6.8 t-105 -55.65 -30.36 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.79 -11.23 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 10.9 t-20 -107.26 21.36 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.83 45.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.6 ttp -75.96 48.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.457 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 39.7 p -114.95 44.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -150.54 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 57' ' ' ARG . 9.6 mt -99.35 -34.07 10.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.41 171.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 p -56.54 -34.94 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -44.39 -33.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 m -109.9 -31.73 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HA ' HD12 ' A' ' 42' ' ' ILE . 41.1 ttp180 -42.07 -51.18 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -39.63 -44.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -76.03 -42.81 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.731 HG21 ' HG3' ' A' ' 57' ' ' ARG . 60.2 mt -55.7 -39.62 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -59.0 -16.16 16.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 47' ' ' THR . . . -94.01 -61.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.6 HG21 HD23 ' A' ' 23' ' ' LEU . 12.0 p -49.25 -26.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.08 -44.2 26.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.0 t -73.91 -22.24 59.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -79.04 -41.69 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -87.56 -13.53 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.18 44.26 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.23 147.91 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.93 120.45 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 p -40.01 -36.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -58.05 -45.22 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.0 mt -49.76 -38.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.05 -62.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.731 ' HG3' HG21 ' A' ' 42' ' ' ILE . 33.7 mtp85 -43.55 -42.98 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 m -70.4 -38.22 74.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -58.33 -43.08 88.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.1 mt -55.64 -62.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.48 -33.9 33.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -67.37 -66.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 16.3 ttt85 -39.09 -46.96 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 t -87.09 158.1 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.28 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -60.51 -58.45 8.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.61 -52.67 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -46.25 -51.32 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.79 -51.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.728 HG22 HG23 ' A' ' 45' ' ' VAL . 42.0 m -55.28 -56.72 16.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.727 HD23 HG21 ' A' ' 45' ' ' VAL . 24.0 mt -57.87 -62.76 1.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -42.74 -32.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -55.4 -55.86 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.97 -33.47 75.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.53 ' CH2' HG22 ' A' ' 32' ' ' THR . 7.4 t-105 -55.09 -28.94 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.87 -15.35 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -106.11 22.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.1 38.26 35.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.5 ttp -78.91 45.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.53 HG22 ' CH2' ' A' ' 27' ' ' TRP . 34.4 p -111.21 48.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.36 160.08 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -102.25 -40.58 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.5 170.95 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 37' ' ' VAL . 6.2 m -44.06 -42.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 36' ' ' SER . 7.7 p -35.93 -38.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' ARG . 29.2 m -109.42 -40.1 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.7 tpp85 -37.12 -43.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.4 -52.54 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -65.63 -43.53 89.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.953 HD13 ' HG2' ' A' ' 57' ' ' ARG . 41.4 mt -53.5 -41.9 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.39 -23.81 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' ' 47' ' ' THR . . . -86.31 -63.03 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.728 HG23 HG22 ' A' ' 22' ' ' THR . 7.7 p -48.92 -25.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -46.53 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -70.34 -22.48 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.14 -37.72 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -92.09 -11.44 35.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 62.28 44.78 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 55' ' ' ILE . 21.0 m -125.16 156.05 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.38 118.02 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.9 p -39.93 -38.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -54.7 -44.47 73.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.481 HD12 ' HB ' ' A' ' 51' ' ' VAL . 88.5 mt -50.16 -42.15 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.506 HG13 HD21 ' A' ' 23' ' ' LEU . 71.6 t -76.76 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.953 ' HG2' HD13 ' A' ' 42' ' ' ILE . 42.3 mtp180 -40.43 -44.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 m -67.53 -39.54 85.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -56.24 -40.7 74.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.578 HG22 HH11 ' A' ' 64' ' ' ARG . 81.8 mt -59.27 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.443 ' HA2' ' CZ ' ' A' ' 64' ' ' ARG . . . -52.47 -41.27 55.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.39 -55.99 25.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' ARG . 13.9 ttt180 -47.86 -63.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.578 HH11 HG22 ' A' ' 60' ' ' ILE . 83.9 mtm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 5.6 t -72.03 148.98 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -37.6 -56.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -51.22 -47.13 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -60.23 -51.9 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 37.1 mt -54.75 -49.24 71.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.72 -55.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.825 HG22 HG23 ' A' ' 45' ' ' VAL . 87.2 m -55.56 -48.63 74.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.429 HD22 ' CE3' ' A' ' 59' ' ' TRP . 13.8 mt -60.38 -62.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.09 -37.59 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -48.26 -54.18 14.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -68.04 -33.89 75.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CZ3' HG22 ' A' ' 32' ' ' THR . 8.0 t-105 -54.56 -31.77 57.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.62 -15.4 39.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.21 23.22 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.01 32.95 51.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.68 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 50.8 p -116.36 40.46 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.4 m -140.19 145.1 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 ' O ' ' A' ' 57' ' ' ARG . 9.5 mt -89.81 -35.19 15.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.54 172.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.447 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 17.6 p -59.03 -35.84 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.57 -36.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.4 m -109.78 -33.47 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 8.5 ttt-85 -37.29 -53.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.32 -43.96 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -71.35 -44.18 65.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.446 HG23 ' HB ' ' A' ' 56' ' ' VAL . 95.4 mt -55.73 -37.43 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.7 -26.49 45.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.595 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.57 -63.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.825 HG23 HG22 ' A' ' 22' ' ' THR . 7.8 p -47.49 -27.21 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 51' ' ' VAL . . . -75.24 -45.19 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.2 t -73.34 -22.51 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -76.67 -40.02 50.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.22 -4.19 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 68.84 36.84 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.425 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 34.6 m -124.38 150.94 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' CYS . 31.1 t0 -63.99 133.08 52.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' ASP . 62.4 m -34.42 -49.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -43.73 -58.62 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' GLU . 49.8 mm -35.39 -37.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.551 HG21 HG13 ' A' ' 45' ' ' VAL . 90.4 t -88.2 -61.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.518 ' O ' HD21 ' A' ' 34' ' ' LEU . 1.2 ttt-85 -38.83 -41.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.6 m -75.74 -43.87 44.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.447 ' CZ2' ' HG3' ' A' ' 63' ' ' ARG . 47.2 t90 -54.66 -38.08 66.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.428 ' CD1' HD11 ' A' ' 42' ' ' ILE . 86.6 mt -60.41 -61.29 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.03 -42.71 31.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -63.12 -44.09 96.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 9.8 mmp_? -61.51 -54.94 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' ARG . 48.4 mtp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ASP . 50.9 m -113.12 149.11 34.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' SER . 27.6 t70 -36.55 -43.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -61.37 -60.59 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.62 -47.61 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 21' ' ' ALA . 44.9 mt -58.14 -52.05 67.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.71 -46.52 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.568 HG22 HG23 ' A' ' 45' ' ' VAL . 25.7 m -62.21 -49.33 76.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD22 ' CE3' ' A' ' 59' ' ' TRP . 14.6 mt -59.48 -60.76 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -45.67 -37.78 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -52.52 -54.55 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 91.0 m-85 -64.46 -36.65 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 2.8 t-105 -57.9 -25.24 60.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -80.24 -3.71 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -111.88 16.17 20.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.04 18.45 43.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.437 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.6 ttp -80.72 42.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 43.0 p -87.38 -40.84 14.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -95.97 172.64 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.501 HD22 ' HG2' ' A' ' 57' ' ' ARG . 8.1 mt -109.71 -68.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.88 -118.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.12 -40.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.1 -38.79 30.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.844 ' HA ' HD12 ' A' ' 42' ' ' ILE . 19.5 ttp85 -39.47 -42.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.06 -51.53 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.42 -46.69 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 39' ' ' ARG . 18.3 mt -52.26 -37.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.21 -26.62 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.32 -59.64 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.577 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 12.3 p -53.77 -23.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.31 -44.04 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.3 t -73.89 -22.55 59.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -79.16 -40.94 29.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -89.21 -10.32 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.67 44.72 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.3 m -124.96 144.47 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 55' ' ' ILE . 13.5 t0 -51.59 133.58 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -38.62 -45.22 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -52.57 -42.56 64.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' ASP . 29.1 mm -49.66 -37.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG21 HG13 ' A' ' 45' ' ' VAL . 96.3 t -87.43 -69.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.811 ' HG3' HD13 ' A' ' 42' ' ' ILE . 33.0 mtp180 -39.94 -35.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.1 m -76.51 -46.18 27.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.441 ' CE3' HD22 ' A' ' 23' ' ' LEU . 48.7 t90 -53.25 -39.57 63.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.1 mt -59.71 -62.7 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.62 -46.63 81.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -51.45 -46.69 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -66.18 -60.51 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.867 0.365 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -72.03 174.1 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.03 -42.72 29.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -64.42 -57.26 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.17 -57.35 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.8 mt -48.06 -50.53 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.12 -46.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.631 HG22 HG23 ' A' ' 45' ' ' VAL . 66.7 m -58.95 -54.71 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.626 HD21 HG13 ' A' ' 56' ' ' VAL . 14.5 mt -59.33 -46.57 88.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' TRP . 53.1 mtpt -55.01 -51.0 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -39.94 -46.37 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -71.79 -35.03 69.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 3.5 t-105 -54.88 -26.67 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -18.91 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -103.04 26.06 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.4 33.88 61.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -75.18 5.17 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.449 ' HA ' HG23 ' A' ' 60' ' ' ILE . 4.3 t -81.74 39.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -142.82 147.6 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' GLY . 11.4 mt -87.18 -33.15 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.33 143.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.1 t -37.88 -44.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.844 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 38' ' ' CYS . 27.6 m -34.06 -43.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.457 ' N ' HG23 ' A' ' 37' ' ' VAL . 61.8 m -84.57 -37.25 21.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 42' ' ' ILE . 32.9 ttp180 -37.27 -44.95 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -56.67 -53.03 62.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.19 -45.31 93.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.766 HD13 ' HG2' ' A' ' 57' ' ' ARG . 55.4 mt -50.43 -40.21 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -54.06 -26.49 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.43 -63.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.631 HG23 HG22 ' A' ' 22' ' ' THR . 9.6 p -49.85 -27.5 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.71 -45.6 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.5 t -72.46 -22.09 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -78.81 -40.7 32.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.17 -6.85 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.68 46.17 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.1 m -125.51 147.84 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.91 123.8 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -42.35 -36.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.35 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.31 -41.56 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.626 HG13 HD21 ' A' ' 23' ' ' LEU . 74.3 t -71.4 -58.91 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.766 ' HG2' HD13 ' A' ' 42' ' ' ILE . 29.9 mtp180 -47.43 -37.3 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.3 m -71.98 -36.82 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -59.06 -40.23 84.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.449 HG23 ' HA ' ' A' ' 32' ' ' THR . 90.1 mt -59.35 -64.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.91 38.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.8 -56.36 23.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.55 -53.87 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.904 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.557 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 39.3 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -83.63 147.37 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -41.06 -51.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -52.52 -55.94 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -58.18 9.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ALA . 14.3 mt -40.14 -51.64 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.06 -52.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -57.94 -57.46 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 45' ' ' VAL . 13.1 mt -55.7 -59.66 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.62 -44.91 9.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.95 -45.46 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 84.4 m-85 -69.5 -37.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.1 -19.37 43.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.69 -3.92 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -113.15 16.08 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.5 29.19 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.435 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.9 ttp -83.01 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.488 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 38.3 p -83.61 -35.37 24.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -100.91 174.15 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 57' ' ' ARG . 10.7 mt -105.46 -71.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.03 -133.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -118.97 -41.48 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.916 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.78 -29.43 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.5 m -99.74 -32.55 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.694 ' HA ' HD12 ' A' ' 42' ' ' ILE . 28.0 ttm180 -41.37 -43.93 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.97 -54.98 27.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HE3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -50.66 -48.53 58.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.798 HG21 ' HG3' ' A' ' 57' ' ' ARG . 26.9 mt -53.88 -42.88 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -54.4 -20.73 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 47' ' ' THR . . . -89.55 -63.61 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 23' ' ' LEU . 11.6 p -47.88 -27.79 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.76 -47.05 27.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.6 t -71.75 -22.24 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.0 mt -92.59 -4.13 53.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 56.48 46.44 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.15 143.42 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.11 121.99 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.3 p -40.26 -40.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.24 -45.68 68.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.557 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 83.9 mt -50.75 -43.5 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.637 HG13 HD21 ' A' ' 23' ' ' LEU . 85.8 t -74.75 -64.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.798 ' HG3' HG21 ' A' ' 42' ' ' ILE . 43.2 mtp180 -43.25 -38.71 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.3 m -72.46 -38.19 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -59.4 -39.17 82.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.3 mt -61.14 -64.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.65 -42.21 20.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -62.85 -46.86 85.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -54.7 -59.31 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 9.6 mtp-105 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -90.21 162.1 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.26 -43.82 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -62.15 -53.2 58.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.18 -47.53 80.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.1 mt -57.25 -50.66 72.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.07 -49.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.833 HG22 HG23 ' A' ' 45' ' ' VAL . 26.0 m -59.52 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CD2' ' A' ' 59' ' ' TRP . 14.6 mt -53.38 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -44.19 -42.88 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -47.57 -55.03 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.457 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 97.1 m-85 -65.63 -37.1 85.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.48 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 13.6 t-105 -57.75 -26.18 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.82 -3.77 52.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -110.95 18.1 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.9 15.34 56.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.433 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.3 ttp -79.47 44.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 30.8 p -88.21 -41.05 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -97.64 173.73 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.9 mt -108.39 -68.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.8 -116.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -129.28 -50.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 38' ' ' CYS . 7.6 p -47.17 -42.28 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' N ' HG13 ' A' ' 37' ' ' VAL . 64.5 m -77.22 -39.57 48.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 42' ' ' ILE . 13.9 ttp85 -37.98 -43.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -55.44 -51.84 65.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -56.47 -48.7 76.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.832 HG21 ' HG3' ' A' ' 57' ' ' ARG . 18.8 mt -51.4 -41.42 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.38 -22.56 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 47' ' ' THR . . . -86.92 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.855 HG13 HG21 ' A' ' 56' ' ' VAL . 8.1 p -51.88 -24.52 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.82 -43.41 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -74.74 -22.42 58.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -80.8 -37.6 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.8 mt -91.06 -4.68 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 m120 60.71 44.73 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.03 145.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -53.43 133.26 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.7 m -38.93 -48.38 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -43.51 -43.48 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -49.78 -41.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.855 HG21 HG13 ' A' ' 45' ' ' VAL . 78.9 t -83.27 -67.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.832 ' HG3' HG21 ' A' ' 42' ' ' ILE . 47.8 mtp85 -38.84 -41.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.9 m -71.52 -37.94 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.597 ' CD2' HD13 ' A' ' 23' ' ' LEU . 37.5 t90 -62.76 -43.9 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' THR . 81.7 mt -52.48 -59.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.66 -42.94 59.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -59.7 -47.05 87.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 45.5 ttt85 -54.47 -52.97 60.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 t -95.04 151.98 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -45.56 -42.44 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 3.4 ptp180 -66.07 -36.18 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.486 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 75.6 m-20 -72.25 -56.76 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.43 -47.06 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.25 -51.48 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.585 HG22 HG23 ' A' ' 45' ' ' VAL . 22.8 m -56.24 -48.22 76.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -41.87 -47.88 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.81 -37.59 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 3.2 t-105 -53.22 -30.26 36.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -57.5 -21.99 41.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -100.72 27.32 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.67 74.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.426 ' O ' HD13 ' A' ' 60' ' ' ILE . 4.7 ttp -71.33 0.63 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.507 ' HA ' HG23 ' A' ' 60' ' ' ILE . 8.5 t -81.82 39.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -139.13 130.96 27.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' GLY . 12.7 mt -73.12 -33.69 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.42 134.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ARG . 9.4 t -40.78 -44.47 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 38' ' ' CYS . 7.5 p -36.6 -41.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' N ' HG13 ' A' ' 37' ' ' VAL . 8.2 m -88.83 -31.96 18.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 42' ' ' ILE . 37.1 ttp180 -40.14 -38.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.97 -49.34 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.17 -46.71 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 ' CG1' ' A' ' 56' ' ' VAL . 64.2 mt -52.07 -37.72 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.17 -26.78 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 47' ' ' THR . . . -82.63 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.585 HG23 HG22 ' A' ' 22' ' ' THR . 8.6 p -48.45 -26.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.14 -46.12 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.4 t -72.14 -22.19 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.29 -36.9 33.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.31 -6.59 52.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 63.61 41.88 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.47 147.58 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -48.31 126.0 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 p -48.85 -24.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -70.32 -43.11 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.0 mt -51.69 -36.74 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.692 ' CG1' HG23 ' A' ' 42' ' ' ILE . 66.7 t -75.64 -57.17 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.497 ' HG3' HG21 ' A' ' 42' ' ' ILE . 48.8 mtp180 -49.25 -38.31 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -72.45 -38.23 68.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -57.34 -39.39 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 32' ' ' THR . 92.7 mt -61.35 -61.59 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.15 -37.66 17.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -67.11 -59.59 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -42.74 -56.05 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -127.56 176.02 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -102.46 -49.42 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.17 88.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -92.56 86.5 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -142.77 143.78 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.97 -129.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.21 156.67 12.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -88.76 153.06 21.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -161.6 156.9 23.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.19 -50.28 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -124.7 107.3 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.6 p -102.3 115.16 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.2 151.44 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -89.12 161.41 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ASP . 40.9 m -112.01 152.62 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' SER . 10.2 m-20 -36.25 -47.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.26 -51.44 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -55.97 -49.38 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.6 -47.41 83.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.82 -44.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.605 HG22 HG23 ' A' ' 45' ' ' VAL . 94.8 m -67.6 -54.43 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.463 HD21 HG13 ' A' ' 56' ' ' VAL . 6.5 mt -55.23 -61.87 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -48.48 -32.01 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.3 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.573 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 9.7 t-105 -57.0 -25.9 59.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -8.72 29.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -112.08 17.32 19.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.0 33.15 27.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.69 48.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.57 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 71.1 p -100.04 -31.47 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -72.57 157.12 38.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.646 HD21 ' O ' ' A' ' 57' ' ' ARG . 14.8 mt -106.95 -35.35 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.5 172.47 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 m -50.1 -33.46 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 p -44.01 -42.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 m -104.64 -32.57 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.725 ' HA ' HD12 ' A' ' 42' ' ' ILE . 14.9 ttt180 -39.43 -49.92 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -41.22 -45.7 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.86 -41.62 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 39' ' ' ARG . 76.8 mt -54.81 -42.5 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -53.36 -22.79 8.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.468 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.92 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.605 HG23 HG22 ' A' ' 22' ' ' THR . 8.5 p -51.01 -27.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.18 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' ALA . 3.5 t -73.3 -22.37 60.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -77.96 -41.33 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.63 -12.86 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 67.87 44.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.9 m -127.74 149.28 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.72 122.54 7.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.3 p -40.57 -41.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.97 -48.31 67.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.0 mt -48.08 -37.82 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG13 HD21 ' A' ' 23' ' ' LEU . 55.2 t -78.5 -59.74 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.646 ' O ' HD21 ' A' ' 34' ' ' LEU . 44.4 mtp180 -43.12 -41.27 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.3 m -67.68 -41.99 82.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.94 -39.63 71.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.95 -64.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.03 -40.49 58.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -56.19 -58.37 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.573 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 54.9 ttt180 -47.73 -56.69 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' ARG . 38.5 mtm180 -34.51 -52.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -57.83 -52.58 64.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -38.52 -47.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -65.27 -49.53 69.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' GLY . 7.8 ttm180 -44.47 -48.26 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -44.09 -42.84 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.3 mtp -75.69 -24.97 56.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 104.63 41.74 1.96 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.8 mm -90.83 139.07 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -88.14 44.89 1.23 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 74' ' ' VAL . 12.5 p -83.32 44.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.7 t -60.75 -54.63 42.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.53 -94.95 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.64 18.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -93.52 -58.58 2.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 t -167.38 156.86 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -136.63 161.71 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -122.17 169.29 11.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.81 -176.81 21.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -156.94 132.43 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -108.78 119.33 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.71 163.51 29.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.86 82.53 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 10' ' ' GLN . 4.4 tt -131.42 115.22 15.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' O ' HD23 ' A' ' 9' ' ' LEU . 15.1 tp60 -58.28 135.0 57.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -162.94 173.49 13.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -123.39 119.0 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 t -78.22 145.2 35.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -86.04 147.47 26.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -106.93 152.48 23.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -106.66 163.48 12.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -48.67 -44.64 37.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -59.92 -53.35 58.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.05 -59.88 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -41.7 -46.95 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.22 -39.85 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 45' ' ' VAL . 74.5 m -67.41 -57.26 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD21 HG13 ' A' ' 56' ' ' VAL . 7.7 mt -55.11 -59.21 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -47.46 -41.59 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -48.68 -45.75 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.83 -38.36 86.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.56 ' CH2' HG22 ' A' ' 32' ' ' THR . 5.9 t-105 -54.45 -26.14 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.56 -8.73 15.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -115.52 18.91 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 44.81 11.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -84.06 34.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.56 HG22 ' CH2' ' A' ' 27' ' ' TRP . 34.2 p -89.56 -32.89 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -71.99 145.44 48.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD22 ' CG ' ' A' ' 57' ' ' ARG . 45.3 mt -99.6 -29.53 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.18 161.89 0.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.419 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 2.0 t -41.58 -37.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 38' ' ' CYS . 8.7 p -40.08 -43.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' N ' HG13 ' A' ' 37' ' ' VAL . 33.6 m -109.96 -28.76 8.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 13.6 ttm180 -38.95 -42.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -55.5 -43.31 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' CYS . 5.7 mmpt? -65.54 -47.23 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.485 HD11 ' CD1' ' A' ' 60' ' ' ILE . 62.0 mt -53.53 -36.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -58.33 -21.31 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.566 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.38 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG23 HG22 ' A' ' 22' ' ' THR . 9.4 p -47.24 -26.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.77 -40.36 25.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 44' ' ' ALA . 3.0 t -75.31 -22.27 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -80.31 -39.31 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.1 mt -88.67 -6.62 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m120 66.38 39.5 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.1 m -121.25 149.95 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.27 124.26 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.7 p -39.91 -33.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.0 -48.21 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -49.14 -42.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG1' HG23 ' A' ' 42' ' ' ILE . 96.1 t -73.33 -56.99 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.585 ' CG ' HD22 ' A' ' 34' ' ' LEU . 3.0 ttt-85 -43.67 -38.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.1 m -75.85 -42.96 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -53.66 -44.69 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.485 ' CD1' HD11 ' A' ' 42' ' ' ILE . 92.1 mt -56.65 -58.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.91 -35.66 32.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -72.82 -53.77 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -47.73 -51.14 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -45.29 -59.2 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -59.03 -51.34 70.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HA ' HD23 ' A' ' 69' ' ' LEU . 20.7 mmtm -46.51 -25.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 70' ' ' MET . 5.2 m-85 -93.79 -70.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 ttt85 -39.55 -38.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.73 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -61.11 -42.64 98.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.568 ' CE ' HD11 ' A' ' 72' ' ' ILE . 13.6 ttp -68.99 -24.29 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.415 ' C ' HD12 ' A' ' 72' ' ' ILE . . . 119.01 33.49 1.14 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.525 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 72' ' ' ILE . 1.6 mp -100.17 108.11 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.099 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.45 117.66 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 75' ' ' SER . 6.0 p -161.04 130.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' VAL . 44.2 t -35.73 141.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -161.32 -160.65 10.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.602 2.201 . . . . 0.0 112.366 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -121.98 153.13 38.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.9 p -140.53 161.23 38.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.525 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -93.09 87.83 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.848 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 m -152.88 128.18 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.0 113.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -149.22 139.63 22.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -109.17 138.19 45.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.58 50.39 2.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.2 158.67 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.697 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.2 pt? -121.82 162.23 21.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -90.38 -48.28 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -146.48 116.44 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.429 ' HG2' HD11 ' A' ' 9' ' ' LEU . 56.4 mtp180 -41.88 128.71 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.7 m -126.34 93.72 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.36 135.76 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -99.29 155.92 17.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 2.0 m -105.36 150.32 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -34.54 -42.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -59.99 -58.85 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.78 -58.76 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -41.96 -49.65 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.15 -43.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.565 HG22 HG23 ' A' ' 45' ' ' VAL . 42.8 m -66.68 -54.02 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD21 HG22 ' A' ' 56' ' ' VAL . 22.3 mt -54.27 -50.36 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -56.03 -48.6 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -45.31 -42.31 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.47 -33.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.468 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 6.2 t-105 -57.75 -24.91 59.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.22 -4.3 21.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -116.17 15.88 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.13 33.88 11.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.63 32.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' HG23 ' A' ' 60' ' ' ILE . 2.5 t -111.99 52.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 60' ' ' ILE . 1.1 t -160.39 156.2 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.6 mt -94.13 -35.19 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.67 140.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.474 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -44.79 -27.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.8 m -49.66 -38.47 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.2 -23.16 15.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.741 ' HA ' HD12 ' A' ' 42' ' ' ILE . 23.9 ttp180 -47.66 -42.49 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -53.75 -47.02 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -64.42 -40.44 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 39' ' ' ARG . 53.0 mt -57.28 -39.49 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -55.08 -19.63 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.524 ' O ' HG22 ' A' ' 47' ' ' THR . . . -91.98 -63.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 22' ' ' THR . 8.0 p -49.42 -27.56 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.45 -46.66 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 44' ' ' ALA . 4.1 t -70.4 -20.55 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -79.6 -38.16 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD21 ' CB ' ' A' ' 22' ' ' THR . 98.4 mt -90.34 -7.05 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 62.1 42.42 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -123.61 148.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 1.7 m-20 -48.38 123.46 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -44.99 -42.64 8.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.94 -41.01 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 52' ' ' ASP . 89.0 mt -52.89 -41.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.521 HG11 HG23 ' A' ' 42' ' ' ILE . 70.0 t -72.31 -60.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.567 ' CG ' HD13 ' A' ' 42' ' ' ILE . 50.0 mtp180 -47.38 -36.36 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.3 m -74.83 -41.02 60.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -56.4 -38.24 71.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.557 HG23 ' HA ' ' A' ' 32' ' ' THR . 77.6 mt -62.13 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -46.01 -45.39 14.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -61.86 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' ARG . 17.1 mmt180 -62.1 -55.12 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' ARG . 61.9 mtp180 -34.54 -47.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -66.48 -49.23 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.609 ' HA ' HD12 ' A' ' 69' ' ' LEU . 73.3 mttt -41.71 -49.25 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' HD1' HD13 ' A' ' 72' ' ' ILE . 94.4 m-85 -60.99 -58.84 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 71' ' ' GLY . 31.4 tpt85 -47.27 -49.58 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 66' ' ' LYS . 34.7 mt -44.46 -43.99 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.6 mtp -73.1 -25.56 60.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 107.42 33.38 3.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.562 HD13 ' HD1' ' A' ' 67' ' ' TYR . 18.8 mt -95.33 141.57 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.096 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -89.1 39.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -46.64 -34.48 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 t -95.58 136.96 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -112.9 -88.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 112.93 3.21 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.8 p -116.54 153.14 32.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -95.26 156.31 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t 65.72 42.12 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -89.96 104.34 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.1 -89.89 0.59 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -173.14 139.85 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -38.61 -47.14 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.24 -157.62 9.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.54 148.74 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.21 167.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -110.0 -49.34 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -79.12 113.17 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 13.6 mtp-105 -91.79 151.85 20.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.3 p -87.64 125.36 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -106.01 126.53 52.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 39.9 m-85 -122.11 159.42 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.6 t -107.83 143.66 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.9 OUTLIER -34.74 -46.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.44 -51.75 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.25 -51.91 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 36.3 mt -46.09 -52.2 12.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.02 -43.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 HG23 ' A' ' 45' ' ' VAL . 37.6 m -64.72 -50.25 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' CE3' ' A' ' 59' ' ' TRP . 10.8 mt -59.32 -57.8 11.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.5 -37.12 16.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -52.79 -52.16 57.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.452 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 35.5 m-85 -65.47 -33.86 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CZ3' HG22 ' A' ' 32' ' ' THR . 9.2 t-105 -56.1 -28.57 58.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.95 -8.85 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.56 17.3 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.12 33.23 29.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -76.31 48.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.651 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 50.7 p -114.79 37.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.9 m -142.94 152.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.47 -30.86 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.24 169.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -56.16 -33.21 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -45.53 -38.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -107.9 -30.79 8.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -42.02 -47.13 4.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -47.36 -45.07 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -71.68 -39.27 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.624 HG21 ' HG3' ' A' ' 57' ' ' ARG . 67.8 mt -61.46 -37.92 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -56.77 -20.83 24.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.49 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.634 HG13 HG21 ' A' ' 56' ' ' VAL . 10.7 p -46.39 -23.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.56 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.8 t -75.07 -22.43 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -81.21 -40.91 23.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.95 -8.72 57.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.24 42.65 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.43 145.66 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -53.6 134.12 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.7 p -39.9 -39.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -57.08 -42.33 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.565 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 42.2 mm -49.93 -36.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.634 HG21 HG13 ' A' ' 45' ' ' VAL . 93.7 t -86.3 -64.63 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.624 ' HG3' HG21 ' A' ' 42' ' ' ILE . 2.5 mtp-105 -39.63 -35.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.5 m -74.15 -38.69 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.473 ' N ' ' O ' ' A' ' 56' ' ' VAL . 68.7 t90 -61.85 -37.38 84.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.543 ' CD1' HD11 ' A' ' 42' ' ' ILE . 74.3 mt -62.25 -63.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.22 -43.5 25.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -65.63 -59.53 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 14.6 tpp180 -45.06 -54.0 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.6 mtp85 -36.86 -57.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -56.66 -55.42 34.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -41.8 -46.52 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.429 ' HD1' HD13 ' A' ' 72' ' ' ILE . 7.6 m-85 -63.54 -64.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.0 -48.05 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -46.16 -42.5 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.405 ' HB3' HD12 ' A' ' 72' ' ' ILE . 6.7 tmm? -71.64 -25.84 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.6 -23.96 3.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 72' ' ' ILE . 5.1 mp -48.87 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 73' ' ' GLU . 2.2 pp20? -78.99 45.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.5 p -49.01 -32.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.5 m -86.59 80.0 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.92 171.77 23.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.54 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m 48.08 43.3 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.2 m -93.39 147.17 23.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 68.93 42.04 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -131.48 170.4 14.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.65 -167.42 12.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -116.74 169.81 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.376 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -104.47 147.22 27.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.57 146.92 5.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.76 94.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pp -130.26 153.27 48.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -115.68 93.82 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -147.98 140.76 24.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -103.67 89.2 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.8 m -67.88 92.78 0.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -82.69 149.48 27.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -83.94 133.63 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 m -74.41 150.78 39.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.36 -55.83 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -51.26 -52.18 47.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' LEU . 13.2 m-20 -59.71 -62.2 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.6 mt -36.69 -52.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.96 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.76 HG22 HG23 ' A' ' 45' ' ' VAL . 88.0 m -56.63 -48.63 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD21 HG22 ' A' ' 56' ' ' VAL . 11.3 mt -59.52 -61.28 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -48.33 -34.54 10.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -52.46 -48.41 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -69.3 -34.74 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.663 ' CZ3' HG22 ' A' ' 32' ' ' THR . 4.9 t-105 -55.7 -28.04 53.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -11.13 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -108.87 19.22 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.81 34.78 26.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -78.89 46.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.663 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 56.9 p -114.1 37.95 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -138.44 152.11 48.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.61 -25.63 15.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.75 173.58 0.31 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -61.01 -31.12 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.915 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -46.46 -32.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -109.85 -33.8 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -38.05 -54.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -45.57 -43.84 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -68.74 -48.55 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.515 HG21 ' HG3' ' A' ' 57' ' ' ARG . 32.2 mt -55.07 -35.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.24 -21.78 49.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.546 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.88 -62.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.76 HG23 HG22 ' A' ' 22' ' ' THR . 8.0 p -47.82 -26.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.43 -44.65 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.1 t -73.64 -21.47 60.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -77.13 -38.12 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.73 -7.11 57.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.57 39.96 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.09 169.38 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -69.41 117.01 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 m -41.23 -48.06 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -42.14 -44.0 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.5 mt -51.75 -42.51 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG21 HG13 ' A' ' 45' ' ' VAL . 73.1 t -69.41 -58.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 42' ' ' ILE . 20.4 mtp180 -45.58 -45.14 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.7 m -68.13 -35.35 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -64.13 -39.82 94.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.475 ' CD1' HD11 ' A' ' 42' ' ' ILE . 95.3 mt -57.85 -60.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.3 -41.58 62.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -56.11 -58.73 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.5 ttm180 -48.41 -61.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' ARG . 57.6 mtp180 -37.09 -61.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 5.6 ttm105 -57.84 -56.23 24.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' ARG . 21.8 mmtt -34.4 -57.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -53.94 -52.4 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -47.4 68.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -50.87 -39.93 55.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.4 ttp -74.19 -25.51 59.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.68 -32.56 2.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.6 mt -75.13 92.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -73.85 124.18 25.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.39 140.2 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.6 p -126.61 -56.19 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.39 -161.45 9.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 1.77 4.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.6 p -109.05 136.18 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.0 p -106.59 166.85 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -114.9 177.18 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.83 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' SER . 6.9 t -168.68 125.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.7 95.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 3' ' ' SER . 23.6 m -63.42 133.98 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -47.08 113.34 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.9 178.34 39.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -41.09 161.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 9' ' ' LEU . 1.7 mm? -87.7 135.02 33.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -51.32 -53.98 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 11' ' ' ASP . 0.4 OUTLIER -123.38 160.84 25.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.28 170.48 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -146.82 141.32 26.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -125.49 158.74 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -106.19 127.33 53.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -87.3 157.3 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -63.01 -58.92 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.56 -47.84 75.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.5 mt -52.68 -48.39 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.33 -55.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 45' ' ' VAL . 88.5 m -53.23 -52.11 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 56' ' ' VAL . 15.1 mt -61.39 -60.41 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -45.12 -35.69 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -53.75 -51.93 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.3 m-85 -68.82 -32.51 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 32' ' ' THR . 18.3 t-105 -56.53 -26.1 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.25 -12.73 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 18.4 t-20 -106.04 22.21 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.66 33.21 43.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.41 48.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.589 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 69.5 p -105.48 -34.47 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -78.47 141.72 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLY . 5.9 mt -83.52 -28.59 28.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.25 152.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -51.13 -24.13 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.7 p -52.87 -32.29 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.0 m -105.9 -31.95 8.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.636 ' HA ' HD12 ' A' ' 42' ' ' ILE . 19.2 ttm180 -36.94 -43.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -45.27 -54.21 7.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -62.12 -43.9 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' ARG . 86.4 mt -53.67 -43.93 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.67 -15.33 11.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 47' ' ' THR . . . -94.46 -57.64 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 22' ' ' THR . 11.9 p -54.69 -24.98 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.81 -42.51 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.2 t -76.21 -21.73 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -77.28 -37.55 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -89.98 -4.69 57.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 62.63 41.15 9.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -124.23 176.16 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 120.68 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.6 m -39.43 -46.34 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -42.79 -45.83 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -55.25 -40.63 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 23' ' ' LEU . 71.1 t -73.79 -58.67 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.605 ' HG3' HG21 ' A' ' 42' ' ' ILE . 33.5 mtp180 -47.98 -38.01 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.2 m -73.2 -38.61 66.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 63' ' ' ARG . 46.3 t90 -61.03 -37.56 83.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.62 -63.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.479 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -51.7 -48.38 50.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -58.91 -41.56 87.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 28.4 ttt180 -59.71 -55.94 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 29.6 mtm105 -39.35 -57.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' ARG . 7.8 ttp-105 -48.26 -57.29 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' ARG . 35.6 tttt -34.47 -49.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -59.82 -43.73 94.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ARG . 39.9 mtt180 -66.2 -52.13 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 66' ' ' LYS . 60.1 mt -44.92 -39.74 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.635 ' CE ' HD11 ' A' ' 72' ' ' ILE . 19.5 ttp -75.4 -25.79 57.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 112.62 38.5 1.3 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.635 HD11 ' CE ' ' A' ' 70' ' ' MET . 28.5 mt -120.08 139.88 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -93.57 83.93 4.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.55 ' O ' HG22 ' A' ' 74' ' ' VAL . 11.3 p -88.49 40.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 m -45.71 -63.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.53 83.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -179.22 2.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.7 p -157.46 138.46 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 t -56.4 116.67 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -113.51 84.55 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.818 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -82.44 110.1 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.89 48.02 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -45.06 -49.92 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -44.39 -41.23 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.47 79.11 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.33 78.09 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp -140.13 129.47 23.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -112.09 103.23 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -109.3 44.7 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -58.26 -22.41 52.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -54.15 -37.33 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -126.04 155.15 41.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -110.88 147.02 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -76.23 147.24 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -38.72 -38.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -70.67 -51.13 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.99 -52.56 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 20.4 mt -48.7 -54.43 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.34 -43.47 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 HG23 ' A' ' 45' ' ' VAL . 57.1 m -67.41 -51.85 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.46 -51.96 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -55.84 -45.65 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -46.95 -44.46 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -72.59 -35.99 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.465 ' CD1' ' C ' ' A' ' 27' ' ' TRP . 2.7 t-105 -53.19 -32.33 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.47 -21.19 35.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -97.32 26.82 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.1 18.95 76.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 ttp -56.39 -24.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.487 ' HA ' HG23 ' A' ' 60' ' ' ILE . 4.3 t -42.51 -23.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' MET . 1.3 t -79.54 155.83 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 57' ' ' ARG . 15.2 mt -107.38 -30.93 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.4 147.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 64.6 m -41.48 -42.93 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p -39.49 -40.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.6 m -96.44 -25.29 15.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.801 ' HA ' HD12 ' A' ' 42' ' ' ILE . 24.3 ttm180 -43.81 -38.56 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.14 -52.66 64.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -56.72 -43.44 80.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 39' ' ' ARG . 40.6 mt -52.48 -37.3 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.92 -23.8 55.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.97 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 42' ' ' ILE . 11.8 p -49.3 -24.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.57 -45.77 20.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -71.97 -22.25 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -78.06 -36.35 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.5 mt -94.07 -7.58 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.7 m120 62.34 44.6 7.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.93 143.59 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.642 ' N ' HD12 ' A' ' 55' ' ' ILE . 6.5 t70 -44.6 126.26 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.1 p -46.05 -40.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -56.03 -42.63 76.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.642 HD12 ' N ' ' A' ' 52' ' ' ASP . 31.1 mt -52.24 -41.57 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.76 -56.8 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 34' ' ' LEU . 40.6 mtp85 -48.3 -40.57 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -71.48 -38.14 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -63.26 -45.64 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.487 HG23 ' HA ' ' A' ' 32' ' ' THR . 99.1 mt -47.18 -64.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -55.69 -33.93 60.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.64 -52.75 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -58.64 -43.11 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.476 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 59.2 mtm180 -40.65 -51.83 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -65.69 -51.93 55.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ARG . 2.1 mmmp? -35.84 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ARG . 34.6 m-85 -84.21 -48.08 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 65' ' ' ARG . 10.9 tpt180 -70.51 -56.15 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.746 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -47.76 -32.1 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.421 ' HE1' HD11 ' A' ' 72' ' ' ILE . 6.9 tmm? -79.46 -26.06 41.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.74 36.51 1.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.421 HD11 ' HE1' ' A' ' 70' ' ' MET . 81.2 mt -125.8 148.66 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 111.159 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -100.11 89.47 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.46 -25.73 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -72.76 -44.28 61.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.09 172.59 19.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.47 30.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -58.13 119.38 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -124.84 150.51 46.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m -125.0 160.02 29.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -82.76 103.4 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.63 138.43 35.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -93.08 -54.03 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -71.29 -44.09 65.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.44 141.93 3.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.456 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' C ' HD12 ' A' ' 9' ' ' LEU . . . -86.4 148.28 25.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD12 ' C ' ' A' ' 8' ' ' ALA . 8.1 mp -130.31 157.75 41.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -174.67 133.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.71 98.49 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -96.2 101.45 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.9 p -135.16 137.47 42.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -113.3 154.61 26.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -114.02 136.6 52.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.446 ' OG ' ' CZ ' ' A' ' 18' ' ' ARG . 13.3 t -94.36 149.34 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.48 -46.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' CZ ' ' OG ' ' A' ' 16' ' ' SER . 10.7 ptt-85 -56.12 -47.63 77.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.6 m-20 -63.34 -63.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ASP . 30.5 mt -35.6 -45.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.81 -48.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.607 HG22 HG23 ' A' ' 45' ' ' VAL . 47.7 m -59.46 -58.6 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.625 HD21 HG13 ' A' ' 56' ' ' VAL . 11.7 mt -55.23 -62.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -43.04 -38.06 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -51.79 -51.6 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.69 -33.4 75.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.459 ' CH2' HG22 ' A' ' 32' ' ' THR . 34.9 t-105 -54.84 -30.91 58.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -15.99 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -105.13 25.62 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.36 61.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.0 ttp -78.15 46.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.459 HG22 ' CH2' ' A' ' 27' ' ' TRP . 72.1 p -94.48 -38.11 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.38 156.02 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD21 ' O ' ' A' ' 57' ' ' ARG . 8.2 mt -106.14 -34.62 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.99 177.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' VAL . 3.3 m -49.58 -42.42 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.837 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 16.4 m -36.12 -38.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.65 -35.85 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HA ' HD12 ' A' ' 42' ' ' ILE . 12.0 ttt180 -37.17 -45.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -46.03 -45.58 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -74.71 -39.15 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 39' ' ' ARG . 52.7 mt -59.62 -36.97 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.6 -25.17 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.567 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.67 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.607 HG23 HG22 ' A' ' 22' ' ' THR . 9.4 p -47.67 -24.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.6 -43.31 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.0 t -75.07 -22.37 58.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -78.04 -40.85 37.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.05 -4.67 59.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m120 61.57 43.89 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.46 147.69 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 130.52 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 p -38.1 -39.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.64 -48.9 74.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mm -42.38 -44.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.625 HG13 HD21 ' A' ' 23' ' ' LEU . 70.5 t -77.9 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.544 ' O ' HD21 ' A' ' 34' ' ' LEU . 65.6 mtm180 -37.96 -42.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.6 m -65.6 -42.07 92.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 76.0 t90 -56.7 -43.31 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.7 mt -56.13 -61.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.48 78.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -50.31 -48.94 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.54 -44.78 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.76 -45.64 89.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -69.92 -43.59 71.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.67 -30.09 41.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.8 -50.12 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' GLY . 63.7 ttt-85 -54.26 -44.31 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 66' ' ' LYS . 30.7 mt -42.31 -53.39 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 72' ' ' ILE . 38.8 ttp -67.08 -24.31 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 112.62 51.76 0.53 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.486 HD11 ' CE ' ' A' ' 70' ' ' MET . 15.9 mm -116.37 146.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -109.94 90.1 3.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 75' ' ' SER . 35.4 m -47.37 -40.24 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 74' ' ' VAL . 25.6 t -103.98 -48.37 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.63 -158.18 52.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -38.18 8.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.2 p -68.78 157.82 35.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 81.2 p -125.05 172.7 9.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 61.91 42.78 9.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -107.96 89.79 3.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.68 -177.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 6' ' ' SER . 10.7 t -76.33 154.36 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' SER . 16.9 t -37.51 -54.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.58 -60.52 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.49 119.75 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.559 ' C ' HD23 ' A' ' 9' ' ' LEU . 4.0 tt -43.26 151.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' N ' HD23 ' A' ' 9' ' ' LEU . 46.5 tt0 -117.81 -58.52 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.481 ' O ' HD21 ' A' ' 9' ' ' LEU . 18.6 p30 -83.94 142.65 30.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -106.56 81.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.0 p -118.06 86.73 2.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -122.24 142.68 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -90.28 163.2 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.4 t -112.1 150.1 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 5.2 m-20 -36.74 -50.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -55.39 -52.11 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.65 -53.91 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -50.85 -51.0 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 m -58.64 -47.39 84.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 HG21 ' A' ' 45' ' ' VAL . 18.0 mt -59.29 -57.29 13.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -49.78 -39.16 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -52.79 -48.57 66.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.93 -37.13 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' TRP . 3.7 t-105 -50.91 -34.98 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -26.88 26.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 25.2 t-20 -93.36 31.08 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.9 70.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.94 -28.59 66.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.571 ' HA ' HG23 ' A' ' 60' ' ' ILE . 9.3 t -42.46 -28.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -87.66 146.37 25.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' GLY . 6.9 mt -93.53 -74.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.4 -129.94 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 m -123.9 -39.83 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.19 -39.48 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.07 -35.48 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.715 ' HA ' HD12 ' A' ' 42' ' ' ILE . 68.9 ttt180 -38.8 -48.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.44 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -51.56 -48.2 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.931 HG21 ' HG3' ' A' ' 57' ' ' ARG . 17.3 mt -53.15 -36.58 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -56.68 -25.1 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.21 -64.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.497 HG13 HG21 ' A' ' 56' ' ' VAL . 10.8 p -46.23 -27.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.27 -44.33 46.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.1 t -74.09 -22.59 59.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -77.63 -39.25 45.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.8 mt -88.79 -1.37 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 63.18 40.7 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.17 143.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -53.11 136.78 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.52 -45.88 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.43 -41.22 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.5 mm -52.13 -40.53 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 45' ' ' VAL . 72.7 t -85.21 -63.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.931 ' HG3' HG21 ' A' ' 42' ' ' ILE . 43.2 mtp180 -37.33 -38.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 48.8 m -73.53 -42.95 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 27.5 t90 -59.94 -38.82 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.571 HG23 ' HA ' ' A' ' 32' ' ' THR . 81.5 mt -54.09 -64.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.08 -44.34 50.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -52.1 -43.84 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -64.03 -45.51 88.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -46.1 -46.34 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 13.9 tpt180 -67.12 -27.33 67.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -74.82 -39.09 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 11.3 m-85 -93.84 -61.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -45.17 -26.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 7.4 tp -65.12 -45.45 85.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.544 ' HE2' HD11 ' A' ' 72' ' ' ILE . 40.7 ttp -79.08 -26.23 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.23 36.49 4.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.58 ' O ' HG22 ' A' ' 72' ' ' ILE . 58.2 mt -75.33 60.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' ILE . 17.9 mt-10 34.14 45.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 74' ' ' VAL . 10.1 p -132.48 41.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.7 p -122.23 80.73 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -110.27 83.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.44 37.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.7 m -64.8 -59.89 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 80' ' ' GLY . 79.5 p -83.02 110.35 17.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.448 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -108.9 118.12 35.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -65.08 157.7 27.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.14 171.51 23.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -112.52 127.32 56.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -98.61 -61.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.2 115.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.44 173.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.2 mp -112.99 -54.48 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' CD ' ' O ' ' A' ' 10' ' ' GLN . 0.2 OUTLIER 69.34 41.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.34 176.49 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.83 93.36 9.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.8 p -119.17 96.08 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -84.29 156.57 21.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -100.02 156.89 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 t -106.42 157.64 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.97 -45.35 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -63.91 -48.25 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.59 -54.96 41.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' LEU . 34.8 mt -52.48 -49.67 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.88 -36.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.71 HG22 HG23 ' A' ' 45' ' ' VAL . 31.3 m -72.04 -39.7 68.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.694 HD22 ' CE3' ' A' ' 59' ' ' TRP . 12.1 mt -64.17 -66.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -45.02 -43.02 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -42.64 -49.18 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.03 -35.81 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CH2' HG22 ' A' ' 32' ' ' THR . 4.8 t-105 -54.84 -29.48 55.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -65.6 -7.09 13.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -112.44 13.92 20.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 32.68 12.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -79.67 44.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' CH2' ' A' ' 27' ' ' TRP . 58.5 p -111.75 53.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.71 159.82 43.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' CD2' ' HG2' ' A' ' 57' ' ' ARG . 9.5 mt -108.08 -26.39 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.03 -179.26 3.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 m -57.27 -30.5 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 m -47.75 -37.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 m -108.56 -37.51 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.65 -50.38 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.07 -47.82 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -71.75 -44.6 63.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.663 HD11 HD12 ' A' ' 60' ' ' ILE . 56.9 mt -51.18 -43.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.99 -23.94 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.25 -62.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.71 HG23 HG22 ' A' ' 22' ' ' THR . 9.8 p -48.86 -27.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.56 24.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.0 t -71.63 -21.24 61.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -82.15 -33.68 29.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.707 HD11 ' HB ' ' A' ' 22' ' ' THR . 80.0 mt -95.62 -2.13 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.63 44.38 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.79 153.83 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -57.85 123.92 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.1 p -45.14 -28.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -66.19 -43.2 87.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -50.91 -40.47 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG21 HG13 ' A' ' 45' ' ' VAL . 96.8 t -72.77 -55.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 7.7 ttp180 -44.88 -43.65 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.1 m -70.32 -40.54 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 23' ' ' LEU . 80.2 t90 -55.09 -40.16 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.663 HD12 HD11 ' A' ' 42' ' ' ILE . 95.2 mt -62.77 -62.27 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.64 -40.46 55.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.5 -50.98 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -54.44 -53.72 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -50.6 -50.25 54.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -60.62 -47.1 87.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -50.02 -58.76 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.568 ' HD1' HD12 ' A' ' 72' ' ' ILE . 18.0 m-85 -50.62 -60.31 3.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -46.27 -58.52 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.48 -41.89 70.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 ttp -67.41 -25.8 66.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 141.46 -35.78 1.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.568 HD12 ' HD1' ' A' ' 67' ' ' TYR . 84.3 mt -76.44 95.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -69.2 136.22 51.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.8 p -158.89 141.44 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -152.97 155.76 37.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.14 146.73 28.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.4 t -123.23 128.05 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.7 m -153.39 129.9 10.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -155.28 177.61 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -85.78 156.49 20.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.16 154.79 12.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -91.26 126.59 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.403 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 m -108.1 129.91 55.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.4 -43.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.95 41.33 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.2 tp -52.32 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -175.42 128.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -65.72 104.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -156.5 128.89 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.402 HG23 HG23 ' A' ' 55' ' ' ILE . 87.9 m -105.77 87.52 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -123.71 138.53 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 21.5 m-85 -112.05 145.68 39.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 m -102.94 156.19 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.4 -55.43 4.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -48.03 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.693 ' OD1' HD22 ' A' ' 49' ' ' LEU . 8.3 m-20 -58.32 -65.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' ASP . 14.7 mt -34.42 -51.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.85 -51.18 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.981 HG22 HG23 ' A' ' 45' ' ' VAL . 59.9 m -57.17 -54.28 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.77 HD21 HG13 ' A' ' 56' ' ' VAL . 13.2 mt -60.42 -58.92 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -51.05 -33.42 25.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -57.84 -46.4 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -68.12 -32.03 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.606 ' CH2' HG22 ' A' ' 32' ' ' THR . 8.2 t-105 -57.0 -27.38 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.72 -8.0 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -111.79 18.91 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.87 33.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.409 ' O ' ' HE3' ' A' ' 31' ' ' MET . 4.5 ttp -77.36 48.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.606 HG22 ' CH2' ' A' ' 27' ' ' TRP . 64.2 p -106.8 -31.68 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -77.73 140.01 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -83.33 -31.79 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.55 158.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 3.2 m -47.44 -39.35 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' SER . 4.3 p -37.13 -34.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' LYS . 70.9 m -106.72 -35.12 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.688 ' HA ' HD12 ' A' ' 42' ' ' ILE . 49.0 ttt180 -37.46 -39.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -58.52 -45.12 89.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . 20.8 mmmt -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 39' ' ' ARG . 25.6 mt -51.32 -44.99 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.0 -22.05 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 47' ' ' THR . . . -87.38 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.981 HG23 HG22 ' A' ' 22' ' ' THR . 8.1 p -48.54 -27.18 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.56 -45.53 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.6 t -72.15 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.64 -31.7 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.693 HD22 ' OD1' ' A' ' 19' ' ' ASP . 86.2 mt -96.06 -5.8 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 60.48 42.7 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 m -124.91 169.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -71.34 121.11 17.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 m -39.93 -46.04 1.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -44.85 -53.02 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.499 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 73.8 mt -47.47 -39.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.77 HG13 HD21 ' A' ' 23' ' ' LEU . 74.9 t -73.33 -59.93 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.556 ' CG ' HD13 ' A' ' 42' ' ' ILE . 38.4 mtp85 -48.97 -36.95 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.8 m -73.28 -37.94 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.84 -34.82 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.21 -60.43 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.12 -41.28 45.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.06 -49.02 79.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -53.63 -58.81 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -42.37 -43.92 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.593 ' O ' HD23 ' A' ' 69' ' ' LEU . 38.3 ttp85 -62.54 -58.42 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -38.02 -44.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -66.79 -57.27 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -48.15 -39.15 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 65' ' ' ARG . 4.4 mm? -55.62 -44.01 76.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.813 ' CE ' HD11 ' A' ' 72' ' ' ILE . 20.8 ttp -73.47 -25.88 60.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.35 34.7 2.25 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.813 HD11 ' CE ' ' A' ' 70' ' ' MET . 28.6 mt -108.85 154.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.342 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 72' ' ' ILE . 10.5 pt-20 -119.05 140.08 50.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' SER . 32.8 m -115.7 152.77 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' VAL . 77.2 p -37.41 108.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -112.97 146.21 18.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 171.91 13.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.4 p -98.47 107.05 19.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.7 p -82.14 86.27 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -82.46 144.06 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -48.67 99.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.8 141.02 2.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -102.42 117.75 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -46.02 -58.79 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.72 -121.2 0.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.63 141.17 28.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.25 166.11 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -126.62 -61.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -146.78 134.49 21.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -114.93 173.44 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.3 m -98.93 109.81 22.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -96.56 153.0 18.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -83.87 140.54 31.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -73.68 140.69 46.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.31 -48.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -58.59 -53.41 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.38 -51.37 65.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 21.6 mt -50.3 -52.71 34.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.39 -47.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -62.58 -55.41 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD21 HG13 ' A' ' 56' ' ' VAL . 11.3 mt -53.24 -60.87 2.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -48.4 -37.51 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -54.56 -46.02 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -69.17 -36.55 77.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.557 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 5.0 t-105 -52.03 -32.68 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -25.75 25.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -94.33 27.91 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.65 73.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.412 ' CE ' HG12 ' A' ' 60' ' ' ILE . 3.5 ttp -54.46 -22.72 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.557 ' HB ' ' CH2' ' A' ' 27' ' ' TRP . 3.1 t -43.53 -28.79 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -68.92 145.53 53.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD21 ' O ' ' A' ' 57' ' ' ARG . 12.9 mt -97.84 -37.62 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.34 150.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 15.6 t -41.5 -46.13 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.4 m -34.09 -38.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' SER . 2.1 m -97.84 -34.43 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.814 ' HA ' HD12 ' A' ' 42' ' ' ILE . 35.6 ttp85 -38.85 -39.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.51 -45.01 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 39' ' ' ARG . 52.0 mt -51.02 -41.95 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.0 -26.35 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.31 -61.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 42' ' ' ILE . 9.8 p -51.55 -23.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.91 -44.35 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -72.1 -22.12 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -77.79 -39.74 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.37 -5.38 58.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 t30 66.22 39.52 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -127.06 140.18 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.42 129.99 16.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -42.25 -53.15 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -41.82 -45.14 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.95 -40.05 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.605 HG13 HD21 ' A' ' 23' ' ' LEU . 89.9 t -77.83 -60.81 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.57 ' O ' HD21 ' A' ' 34' ' ' LEU . 1.6 ttt-85 -44.3 -36.71 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.4 m -73.92 -43.76 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -59.74 -39.52 85.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.512 HG23 ' HA ' ' A' ' 32' ' ' THR . 90.1 mt -51.45 -63.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.15 -43.13 56.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -45.61 -44.3 12.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -63.66 -55.7 21.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' OG1' ' A' ' 32' ' ' THR . 9.9 mtt-85 -44.05 -43.92 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -41.33 88.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -62.43 -54.25 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -50.81 -52.99 35.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' GLY . 8.6 tpt180 -56.64 -49.91 73.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.8 mt -41.38 -37.84 1.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.4 ttp -86.41 -25.49 25.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 136.66 -27.32 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.3 mt -67.18 100.06 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' HB3' ' CD ' ' A' ' 68' ' ' ARG . 7.6 pt-20 -94.97 76.55 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 m -53.11 138.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -171.99 115.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.6 142.89 46.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 95.57 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.36 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -66.45 -46.51 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.8 p -112.07 86.76 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -93.45 149.07 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m 45.55 42.36 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.59 63.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 27.1 t -113.73 143.64 44.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 67.2 m -36.47 146.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.31 130.52 3.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.04 45.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.05 153.23 32.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -154.07 142.61 20.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -90.65 113.87 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -118.5 -52.54 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -103.2 107.09 17.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -106.81 155.14 20.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -120.44 150.7 40.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . 74.3 m -110.49 155.36 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' SER . 23.5 m-20 -37.58 -43.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -60.82 -55.53 31.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -56.37 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.4 mt -41.97 -51.27 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.04 -52.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.447 HG22 HG23 ' A' ' 45' ' ' VAL . 41.5 m -56.03 -50.26 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.6 HD23 HG21 ' A' ' 45' ' ' VAL . 16.5 mt -59.92 -62.17 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -44.83 -33.99 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.9 -52.37 63.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.561 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 33.9 m-85 -66.02 -33.54 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.519 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 6.8 t-105 -55.65 -30.36 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.79 -11.23 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 10.9 t-20 -107.26 21.36 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.83 45.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.6 ttp -75.96 48.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.457 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 39.7 p -114.95 44.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -150.54 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 57' ' ' ARG . 9.6 mt -99.35 -34.07 10.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.41 171.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 p -56.54 -34.94 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -44.39 -33.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 m -109.9 -31.73 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HA ' HD12 ' A' ' 42' ' ' ILE . 41.1 ttp180 -42.07 -51.18 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -39.63 -44.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -76.03 -42.81 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.731 HG21 ' HG3' ' A' ' 57' ' ' ARG . 60.2 mt -55.7 -39.62 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -59.0 -16.16 16.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 47' ' ' THR . . . -94.01 -61.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.6 HG21 HD23 ' A' ' 23' ' ' LEU . 12.0 p -49.25 -26.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.08 -44.2 26.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.0 t -73.91 -22.24 59.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -79.04 -41.69 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -87.56 -13.53 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.18 44.26 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.23 147.91 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.93 120.45 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 p -40.01 -36.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -58.05 -45.22 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.0 mt -49.76 -38.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.05 -62.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.731 ' HG3' HG21 ' A' ' 42' ' ' ILE . 33.7 mtp85 -43.55 -42.98 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 m -70.4 -38.22 74.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -58.33 -43.08 88.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.1 mt -55.64 -62.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.48 -33.9 33.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -67.37 -66.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 16.3 ttt85 -39.09 -46.96 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -48.71 -57.52 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' LYS . 4.5 ttt180 -66.97 -50.09 63.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' ARG . 79.7 mttt -35.47 -45.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.45 -60.67 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' GLY . 16.1 mmt85 -44.57 -47.22 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mp -40.11 -45.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.1 ttp -84.83 -25.58 28.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 130.78 -19.3 5.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.5 mt -69.13 135.3 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -123.71 135.33 53.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.6 m -102.29 41.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.5 t -145.01 139.26 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.93 -94.99 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 88.19 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.6 m -141.54 166.08 25.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 t -88.69 -56.85 3.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -91.14 140.92 29.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.807 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t 49.68 42.05 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.14 119.66 3.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -132.46 164.52 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -53.14 154.71 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.05 -116.45 1.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.08 156.88 43.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -117.43 138.38 51.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -154.91 157.31 37.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -49.15 166.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -43.03 107.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.0 p -81.54 156.73 25.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.06 137.21 44.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -79.75 129.39 34.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 t -87.09 158.1 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.28 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -60.51 -58.45 8.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.61 -52.67 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -46.25 -51.32 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.79 -51.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.728 HG22 HG23 ' A' ' 45' ' ' VAL . 42.0 m -55.28 -56.72 16.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.727 HD23 HG21 ' A' ' 45' ' ' VAL . 24.0 mt -57.87 -62.76 1.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -42.74 -32.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -55.4 -55.86 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.97 -33.47 75.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.53 ' CH2' HG22 ' A' ' 32' ' ' THR . 7.4 t-105 -55.09 -28.94 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.87 -15.35 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -106.11 22.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.1 38.26 35.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.5 ttp -78.91 45.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.53 HG22 ' CH2' ' A' ' 27' ' ' TRP . 34.4 p -111.21 48.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.36 160.08 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -102.25 -40.58 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.5 170.95 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 37' ' ' VAL . 6.2 m -44.06 -42.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 36' ' ' SER . 7.7 p -35.93 -38.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' ARG . 29.2 m -109.42 -40.1 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.7 tpp85 -37.12 -43.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.4 -52.54 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -65.63 -43.53 89.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.953 HD13 ' HG2' ' A' ' 57' ' ' ARG . 41.4 mt -53.5 -41.9 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.39 -23.81 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' ' 47' ' ' THR . . . -86.31 -63.03 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.728 HG23 HG22 ' A' ' 22' ' ' THR . 7.7 p -48.92 -25.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -46.53 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -70.34 -22.48 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.14 -37.72 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -92.09 -11.44 35.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 62.28 44.78 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 55' ' ' ILE . 21.0 m -125.16 156.05 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.38 118.02 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.9 p -39.93 -38.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -54.7 -44.47 73.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.481 HD12 ' HB ' ' A' ' 51' ' ' VAL . 88.5 mt -50.16 -42.15 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.506 HG13 HD21 ' A' ' 23' ' ' LEU . 71.6 t -76.76 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.953 ' HG2' HD13 ' A' ' 42' ' ' ILE . 42.3 mtp180 -40.43 -44.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 m -67.53 -39.54 85.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -56.24 -40.7 74.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.578 HG22 HH11 ' A' ' 64' ' ' ARG . 81.8 mt -59.27 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.443 ' HA2' ' CZ ' ' A' ' 64' ' ' ARG . . . -52.47 -41.27 55.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.39 -55.99 25.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' ARG . 13.9 ttt180 -47.86 -63.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.578 HH11 HG22 ' A' ' 60' ' ' ILE . 83.9 mtm-85 -34.51 -42.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -71.26 -53.69 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -46.06 -39.87 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CE1' ' HG2' ' A' ' 63' ' ' ARG . 8.5 m-85 -66.72 -53.96 27.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.9 tpt85 -48.73 -36.25 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 65' ' ' ARG . 9.5 mp -57.99 -49.19 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 41.7 mtm -67.35 -25.26 65.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.36 -28.07 2.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.07 94.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -77.89 112.87 15.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.0 p -130.24 133.27 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.2 t -112.23 -54.99 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -147.4 -158.18 7.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -4.85 14.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.7 p -64.9 109.48 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.1 t -171.32 148.79 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -121.42 -45.66 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.377 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -121.0 82.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.03 164.09 36.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -129.74 151.91 49.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -69.43 176.93 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.03 -44.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.23 -59.01 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.6 pp -106.28 124.38 49.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -80.28 -54.32 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -125.79 -59.97 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -163.14 146.44 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.3 p -108.9 121.51 45.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -78.38 130.05 35.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -105.76 123.59 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 5.6 t -72.03 148.98 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -37.6 -56.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -51.22 -47.13 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -60.23 -51.9 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 37.1 mt -54.75 -49.24 71.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.72 -55.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.825 HG22 HG23 ' A' ' 45' ' ' VAL . 87.2 m -55.56 -48.63 74.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD22 ' CE3' ' A' ' 59' ' ' TRP . 13.8 mt -60.38 -62.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.09 -37.59 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -48.26 -54.18 14.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -68.04 -33.89 75.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CZ3' HG22 ' A' ' 32' ' ' THR . 8.0 t-105 -54.56 -31.77 57.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.62 -15.4 39.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.21 23.22 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.01 32.95 51.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.68 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 50.8 p -116.36 40.46 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.4 m -140.19 145.1 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 ' O ' ' A' ' 57' ' ' ARG . 9.5 mt -89.81 -35.19 15.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.54 172.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.447 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 17.6 p -59.03 -35.84 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.57 -36.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.4 m -109.78 -33.47 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 8.5 ttt-85 -37.29 -53.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.32 -43.96 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -71.35 -44.18 65.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.446 HG23 ' HB ' ' A' ' 56' ' ' VAL . 95.4 mt -55.73 -37.43 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.7 -26.49 45.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.595 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.57 -63.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.825 HG23 HG22 ' A' ' 22' ' ' THR . 7.8 p -47.49 -27.21 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 51' ' ' VAL . . . -75.24 -45.19 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.2 t -73.34 -22.51 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -76.67 -40.02 50.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.22 -4.19 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 68.84 36.84 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.425 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 34.6 m -124.38 150.94 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' CYS . 31.1 t0 -63.99 133.08 52.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' ASP . 62.4 m -34.42 -49.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -43.73 -58.62 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' GLU . 49.8 mm -35.39 -37.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.551 HG21 HG13 ' A' ' 45' ' ' VAL . 90.4 t -88.2 -61.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.518 ' O ' HD21 ' A' ' 34' ' ' LEU . 1.2 ttt-85 -38.83 -41.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.6 m -75.74 -43.87 44.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.447 ' CZ2' ' HG3' ' A' ' 63' ' ' ARG . 47.2 t90 -54.66 -38.08 66.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.428 ' CD1' HD11 ' A' ' 42' ' ' ILE . 86.6 mt -60.41 -61.29 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.03 -42.71 31.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -63.12 -44.09 96.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 9.8 mmp_? -61.51 -54.94 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' ARG . 48.4 mtp180 -36.41 -54.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.555 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.2 ttp180 -60.18 -57.13 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ARG . 65.1 tttt -37.6 -47.67 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -67.06 -42.72 84.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' ARG . 4.9 tpp85 -59.46 -42.58 92.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 65' ' ' ARG . 4.5 mm? -40.37 -52.38 2.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.2 mtm -76.06 -26.11 56.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.39 42.87 2.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mm -80.72 140.98 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.3 87.51 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.86 -37.28 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.0 p -56.74 -44.97 82.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.09 158.96 7.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 146.44 60.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.0 p -163.27 131.39 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 t -61.41 155.84 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -151.63 174.52 13.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.89 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -93.55 168.56 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.22 -117.73 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -163.53 110.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -123.4 157.32 33.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.06 130.25 2.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.17 65.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -101.81 128.36 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -48.2 98.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' OD1' ' NE ' ' A' ' 12' ' ' ARG . 23.8 t0 -158.38 175.17 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' NE ' ' OD1' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -96.6 173.03 7.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.4 p -109.02 93.77 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -83.86 114.86 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -95.21 161.28 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ASP . 50.9 m -113.12 149.11 34.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' SER . 27.6 t70 -36.55 -43.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -61.37 -60.59 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.62 -47.61 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 21' ' ' ALA . 44.9 mt -58.14 -52.05 67.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.71 -46.52 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.568 HG22 HG23 ' A' ' 45' ' ' VAL . 25.7 m -62.21 -49.33 76.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD22 ' CE3' ' A' ' 59' ' ' TRP . 14.6 mt -59.48 -60.76 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -45.67 -37.78 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -52.52 -54.55 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 91.0 m-85 -64.46 -36.65 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 2.8 t-105 -57.9 -25.24 60.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -80.24 -3.71 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.433 ' O ' ' ND2' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -111.88 16.17 20.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.04 18.45 43.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.437 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.6 ttp -80.72 42.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 43.0 p -87.38 -40.84 14.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -95.97 172.64 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.501 HD22 ' HG2' ' A' ' 57' ' ' ARG . 8.1 mt -109.71 -68.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.88 -118.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.12 -40.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.1 -38.79 30.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.844 ' HA ' HD12 ' A' ' 42' ' ' ILE . 19.5 ttp85 -39.47 -42.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.06 -51.53 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.42 -46.69 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 39' ' ' ARG . 18.3 mt -52.26 -37.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.21 -26.62 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.32 -59.64 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.577 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 12.3 p -53.77 -23.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.31 -44.04 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.3 t -73.89 -22.55 59.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -79.16 -40.94 29.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -89.21 -10.32 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.67 44.72 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.3 m -124.96 144.47 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 55' ' ' ILE . 13.5 t0 -51.59 133.58 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -38.62 -45.22 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -52.57 -42.56 64.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' ASP . 29.1 mm -49.66 -37.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG21 HG13 ' A' ' 45' ' ' VAL . 96.3 t -87.43 -69.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.811 ' HG3' HD13 ' A' ' 42' ' ' ILE . 33.0 mtp180 -39.94 -35.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.1 m -76.51 -46.18 27.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.441 ' CE3' HD22 ' A' ' 23' ' ' LEU . 48.7 t90 -53.25 -39.57 63.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.1 mt -59.71 -62.7 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.62 -46.63 81.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -51.45 -46.69 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -66.18 -60.51 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -46.51 -46.14 18.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.573 ' O ' HD23 ' A' ' 69' ' ' LEU . 6.4 mmm180 -66.25 -56.22 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -45.06 -36.89 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -74.51 -54.57 7.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLY . 37.8 ttt180 -52.43 -50.6 62.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 65' ' ' ARG . 4.3 mm? -41.78 -50.7 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.4 ttp -68.95 -25.94 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 107.29 38.89 2.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.3 mm -98.66 151.25 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -88.97 129.93 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 74' ' ' VAL . 10.2 p -159.24 121.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -167.16 153.84 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.82 71.07 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.69 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.6 p -44.46 -47.08 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.0 p -39.24 -47.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -104.16 104.71 14.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.816 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -70.77 111.76 6.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.88 47.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 p -131.24 122.13 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -42.1 163.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.33 -94.53 1.86 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.53 41.28 5.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.65 152.46 38.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -165.49 139.04 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -86.15 111.03 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -54.95 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.1 p -99.84 140.38 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -118.64 154.58 32.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -94.77 117.8 30.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -72.03 174.1 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.03 -42.72 29.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -64.42 -57.26 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.17 -57.35 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.8 mt -48.06 -50.53 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.12 -46.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.631 HG22 HG23 ' A' ' 45' ' ' VAL . 66.7 m -58.95 -54.71 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.626 HD21 HG13 ' A' ' 56' ' ' VAL . 14.5 mt -59.33 -46.57 88.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' TRP . 53.1 mtpt -55.01 -51.0 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -39.94 -46.37 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -71.79 -35.03 69.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 3.5 t-105 -54.88 -26.67 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -18.91 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -103.04 26.06 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.4 33.88 61.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -75.18 5.17 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.449 ' HA ' HG23 ' A' ' 60' ' ' ILE . 4.3 t -81.74 39.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -142.82 147.6 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' GLY . 11.4 mt -87.18 -33.15 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.33 143.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.1 t -37.88 -44.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.844 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 38' ' ' CYS . 27.6 m -34.06 -43.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.457 ' N ' HG23 ' A' ' 37' ' ' VAL . 61.8 m -84.57 -37.25 21.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 42' ' ' ILE . 32.9 ttp180 -37.27 -44.95 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -56.67 -53.03 62.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.19 -45.31 93.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.766 HD13 ' HG2' ' A' ' 57' ' ' ARG . 55.4 mt -50.43 -40.21 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -54.06 -26.49 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.43 -63.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.631 HG23 HG22 ' A' ' 22' ' ' THR . 9.6 p -49.85 -27.5 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.71 -45.6 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.5 t -72.46 -22.09 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -78.81 -40.7 32.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.17 -6.85 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.68 46.17 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.1 m -125.51 147.84 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.91 123.8 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -42.35 -36.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.35 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.31 -41.56 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.626 HG13 HD21 ' A' ' 23' ' ' LEU . 74.3 t -71.4 -58.91 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.766 ' HG2' HD13 ' A' ' 42' ' ' ILE . 29.9 mtp180 -47.43 -37.3 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.3 m -71.98 -36.82 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -59.06 -40.23 84.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.449 HG23 ' HA ' ' A' ' 32' ' ' THR . 90.1 mt -59.35 -64.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.91 38.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.8 -56.36 23.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.55 -53.87 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -40.36 -46.45 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -56.62 -49.81 73.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 69' ' ' LEU . 56.2 tttp -42.77 -59.57 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' ARG . 72.0 m-85 -67.14 -63.03 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLY . 18.1 mtp180 -35.05 -48.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 66' ' ' LYS . 15.8 mt -41.13 -50.72 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.41 ' CE ' HD11 ' A' ' 72' ' ' ILE . 38.7 ttp -71.19 -25.52 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 105.09 47.02 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.497 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.41 HD11 ' CE ' ' A' ' 70' ' ' MET . 19.9 mm -94.54 138.66 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -96.7 78.92 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.7 m -78.11 -19.25 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 m -117.29 81.04 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -161.07 83.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -127.21 128.32 45.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 m -147.73 160.24 42.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.433 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -51.04 158.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -123.19 147.81 46.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.7 179.18 38.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -131.93 163.17 28.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -47.27 128.61 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.26 81.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 144.5 41.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 10' ' ' GLN . 7.8 tt -58.42 -72.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' HD23 ' A' ' 9' ' ' LEU . 21.8 tt0 -175.56 106.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLN . 1.9 m-20 -36.87 -48.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -70.5 96.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 t -93.34 129.92 39.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -122.05 130.75 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.557 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 39.3 m-85 -128.44 143.65 51.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -83.63 147.37 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -41.06 -51.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -52.52 -55.94 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -58.18 9.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ALA . 14.3 mt -40.14 -51.64 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.06 -52.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -57.94 -57.46 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 45' ' ' VAL . 13.1 mt -55.7 -59.66 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.62 -44.91 9.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.95 -45.46 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 84.4 m-85 -69.5 -37.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.1 -19.37 43.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.69 -3.92 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -113.15 16.08 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.5 29.19 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.435 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.9 ttp -83.01 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.488 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 38.3 p -83.61 -35.37 24.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -100.91 174.15 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 57' ' ' ARG . 10.7 mt -105.46 -71.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.03 -133.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -118.97 -41.48 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.916 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.78 -29.43 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.5 m -99.74 -32.55 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.694 ' HA ' HD12 ' A' ' 42' ' ' ILE . 28.0 ttm180 -41.37 -43.93 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.97 -54.98 27.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HE3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -50.66 -48.53 58.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.798 HG21 ' HG3' ' A' ' 57' ' ' ARG . 26.9 mt -53.88 -42.88 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -54.4 -20.73 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 47' ' ' THR . . . -89.55 -63.61 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 23' ' ' LEU . 11.6 p -47.88 -27.79 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.76 -47.05 27.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.6 t -71.75 -22.24 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.0 mt -92.59 -4.13 53.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 56.48 46.44 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.15 143.42 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.11 121.99 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.3 p -40.26 -40.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.24 -45.68 68.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.557 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 83.9 mt -50.75 -43.5 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.637 HG13 HD21 ' A' ' 23' ' ' LEU . 85.8 t -74.75 -64.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.798 ' HG3' HG21 ' A' ' 42' ' ' ILE . 43.2 mtp180 -43.25 -38.71 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.3 m -72.46 -38.19 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -59.4 -39.17 82.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.3 mt -61.14 -64.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.65 -42.21 20.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -62.85 -46.86 85.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.561 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 11.1 tpt180 -54.7 -59.31 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 9.6 mtp-105 -40.49 -32.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -72.82 -52.64 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HZ2' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -62.74 -30.58 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 63' ' ' ARG . 3.6 m-85 -71.97 -55.63 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -54.51 -41.62 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.24 -43.15 70.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.511 ' CE ' HD11 ' A' ' 72' ' ' ILE . 63.1 ttp -70.72 -25.96 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.5 56.25 0.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.511 HD11 ' CE ' ' A' ' 70' ' ' MET . 50.6 mm -108.32 130.72 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.148 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -81.64 50.02 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.5 p -80.68 134.99 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.5 p -108.85 176.27 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.466 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . 156.38 -59.97 0.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 53.5 Cg_endo -69.78 -10.66 29.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.609 2.206 . . . . 0.0 112.369 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -76.34 103.71 6.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 m -104.39 -47.71 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -165.1 131.55 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 p -81.77 163.26 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.1 122.01 5.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -135.4 149.19 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -43.79 156.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.72 111.07 3.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.11 -58.44 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 111.08 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.2 mt -119.38 149.43 41.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -85.83 97.76 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -123.15 104.14 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -60.85 151.03 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -94.76 124.38 38.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -104.28 125.61 50.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -83.34 150.2 26.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -90.21 162.1 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.26 -43.82 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -62.15 -53.2 58.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.18 -47.53 80.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.1 mt -57.25 -50.66 72.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.07 -49.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.833 HG22 HG23 ' A' ' 45' ' ' VAL . 26.0 m -59.52 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CD2' ' A' ' 59' ' ' TRP . 14.6 mt -53.38 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -44.19 -42.88 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -47.57 -55.03 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.457 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 97.1 m-85 -65.63 -37.1 85.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.48 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 13.6 t-105 -57.75 -26.18 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.82 -3.77 52.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -110.95 18.1 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.9 15.34 56.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.433 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.3 ttp -79.47 44.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 30.8 p -88.21 -41.05 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -97.64 173.73 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.9 mt -108.39 -68.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.8 -116.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -129.28 -50.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 38' ' ' CYS . 7.6 p -47.17 -42.28 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' N ' HG13 ' A' ' 37' ' ' VAL . 64.5 m -77.22 -39.57 48.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 42' ' ' ILE . 13.9 ttp85 -37.98 -43.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -55.44 -51.84 65.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -56.47 -48.7 76.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.832 HG21 ' HG3' ' A' ' 57' ' ' ARG . 18.8 mt -51.4 -41.42 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.38 -22.56 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 47' ' ' THR . . . -86.92 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.855 HG13 HG21 ' A' ' 56' ' ' VAL . 8.1 p -51.88 -24.52 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.82 -43.41 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -74.74 -22.42 58.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -80.8 -37.6 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.8 mt -91.06 -4.68 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 m120 60.71 44.73 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.03 145.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -53.43 133.26 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.7 m -38.93 -48.38 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -43.51 -43.48 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -49.78 -41.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.855 HG21 HG13 ' A' ' 45' ' ' VAL . 78.9 t -83.27 -67.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.832 ' HG3' HG21 ' A' ' 42' ' ' ILE . 47.8 mtp85 -38.84 -41.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.9 m -71.52 -37.94 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.597 ' CD2' HD13 ' A' ' 23' ' ' LEU . 37.5 t90 -62.76 -43.9 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' THR . 81.7 mt -52.48 -59.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.66 -42.94 59.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -59.7 -47.05 87.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 45.5 ttt85 -54.47 -52.97 60.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -46.63 -49.4 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.73 ' CD ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.89 -56.35 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -42.28 -56.67 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -48.46 -70.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -50.34 -30.24 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.73 HD12 ' CD ' ' A' ' 65' ' ' ARG . 1.2 tt -59.33 -51.71 68.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 39.0 ttp -74.39 -25.0 59.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.63 42.09 1.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.2 mm -102.91 129.47 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -76.44 101.53 5.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 74' ' ' VAL . 10.2 p -114.29 41.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.9 t -101.01 155.93 17.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.17 -158.21 8.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 86.76 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.3 m 62.79 41.44 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -51.18 142.71 12.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -133.39 157.38 45.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -71.91 123.29 22.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.03 99.88 0.81 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -132.64 158.63 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 t -167.03 138.42 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.21 106.84 1.03 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.01 132.8 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -121.56 94.58 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 66.45 41.96 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -95.5 41.86 1.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 13' ' ' THR . 24.7 ttt180 -76.91 150.4 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.461 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 46.1 p -134.17 163.35 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.5 tp60 -124.91 148.54 48.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -101.23 154.6 18.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 t -95.04 151.98 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -45.56 -42.44 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 3.4 ptp180 -66.07 -36.18 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.486 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 75.6 m-20 -72.25 -56.76 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.43 -47.06 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.25 -51.48 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.585 HG22 HG23 ' A' ' 45' ' ' VAL . 22.8 m -56.24 -48.22 76.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -41.87 -47.88 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.81 -37.59 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 3.2 t-105 -53.22 -30.26 36.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -57.5 -21.99 41.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -100.72 27.32 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.67 74.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.426 ' O ' HD13 ' A' ' 60' ' ' ILE . 4.7 ttp -71.33 0.63 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.507 ' HA ' HG23 ' A' ' 60' ' ' ILE . 8.5 t -81.82 39.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -139.13 130.96 27.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' GLY . 12.7 mt -73.12 -33.69 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.42 134.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ARG . 9.4 t -40.78 -44.47 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 38' ' ' CYS . 7.5 p -36.6 -41.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' N ' HG13 ' A' ' 37' ' ' VAL . 8.2 m -88.83 -31.96 18.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 42' ' ' ILE . 37.1 ttp180 -40.14 -38.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.97 -49.34 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.17 -46.71 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 ' CG1' ' A' ' 56' ' ' VAL . 64.2 mt -52.07 -37.72 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.17 -26.78 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 47' ' ' THR . . . -82.63 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.585 HG23 HG22 ' A' ' 22' ' ' THR . 8.6 p -48.45 -26.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.14 -46.12 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.4 t -72.14 -22.19 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.29 -36.9 33.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.31 -6.59 52.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 63.61 41.88 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.47 147.58 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -48.31 126.0 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 p -48.85 -24.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -70.32 -43.11 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.0 mt -51.69 -36.74 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.692 ' CG1' HG23 ' A' ' 42' ' ' ILE . 66.7 t -75.64 -57.17 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.497 ' HG3' HG21 ' A' ' 42' ' ' ILE . 48.8 mtp180 -49.25 -38.31 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -72.45 -38.23 68.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -57.34 -39.39 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 32' ' ' THR . 92.7 mt -61.35 -61.59 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.15 -37.66 17.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -67.11 -59.59 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -42.74 -56.05 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -40.8 -46.05 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.686 ' HD3' HD12 ' A' ' 69' ' ' LEU . 2.5 tmm_? -59.51 -61.08 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 65' ' ' ARG . 18.5 tttp -36.7 -36.74 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 69' ' ' LEU . 71.5 m-85 -86.81 -70.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -38.77 -27.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.686 HD12 ' HD3' ' A' ' 65' ' ' ARG . 1.4 tt -56.21 -50.58 70.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 43.8 mtm -77.37 -25.32 50.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.96 36.07 1.9 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 67.0 mt -107.09 114.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.084 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -89.28 95.38 10.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 74' ' ' VAL . 30.3 m -53.68 119.54 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.0 m -158.62 166.74 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.85 73.8 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.65 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t 41.42 42.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.0 t -112.13 153.58 26.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.905 0.384 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ASP . 40.9 m -112.01 152.62 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' SER . 10.2 m-20 -36.25 -47.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.26 -51.44 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -55.97 -49.38 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.6 -47.41 83.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.82 -44.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.605 HG22 HG23 ' A' ' 45' ' ' VAL . 94.8 m -67.6 -54.43 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.463 HD21 HG13 ' A' ' 56' ' ' VAL . 6.5 mt -55.23 -61.87 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -48.48 -32.01 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.3 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.573 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 9.7 t-105 -57.0 -25.9 59.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -8.72 29.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -112.08 17.32 19.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.0 33.15 27.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.69 48.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.57 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 71.1 p -100.04 -31.47 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -72.57 157.12 38.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.646 HD21 ' O ' ' A' ' 57' ' ' ARG . 14.8 mt -106.95 -35.35 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.5 172.47 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 m -50.1 -33.46 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 p -44.01 -42.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 m -104.64 -32.57 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.725 ' HA ' HD12 ' A' ' 42' ' ' ILE . 14.9 ttt180 -39.43 -49.92 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -41.22 -45.7 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.86 -41.62 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 39' ' ' ARG . 76.8 mt -54.81 -42.5 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -53.36 -22.79 8.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.468 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.92 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.605 HG23 HG22 ' A' ' 22' ' ' THR . 8.5 p -51.01 -27.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.18 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' ALA . 3.5 t -73.3 -22.37 60.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -77.96 -41.33 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.63 -12.86 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 67.87 44.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.9 m -127.74 149.28 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.72 122.54 7.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.3 p -40.57 -41.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.97 -48.31 67.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.0 mt -48.08 -37.82 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.463 HG13 HD21 ' A' ' 23' ' ' LEU . 55.2 t -78.5 -59.74 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.646 ' O ' HD21 ' A' ' 34' ' ' LEU . 44.4 mtp180 -43.12 -41.27 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.3 m -67.68 -41.99 82.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.94 -39.63 71.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.95 -64.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.03 -40.49 58.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -56.19 -58.37 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.573 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 54.9 ttt180 -47.73 -56.69 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' ARG . 38.5 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.859 0.362 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -106.66 163.48 12.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -48.67 -44.64 37.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -59.92 -53.35 58.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.05 -59.88 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -41.7 -46.95 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.22 -39.85 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 45' ' ' VAL . 74.5 m -67.41 -57.26 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.404 HD21 HG13 ' A' ' 56' ' ' VAL . 7.7 mt -55.11 -59.21 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -47.46 -41.59 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -48.68 -45.75 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.83 -38.36 86.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.56 ' CH2' HG22 ' A' ' 32' ' ' THR . 5.9 t-105 -54.45 -26.14 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.56 -8.73 15.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -115.52 18.91 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 44.81 11.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -84.06 34.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.56 HG22 ' CH2' ' A' ' 27' ' ' TRP . 34.2 p -89.56 -32.89 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -71.99 145.44 48.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.585 HD22 ' CG ' ' A' ' 57' ' ' ARG . 45.3 mt -99.6 -29.53 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.18 161.89 0.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.419 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 2.0 t -41.58 -37.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 38' ' ' CYS . 8.7 p -40.08 -43.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.465 ' N ' HG13 ' A' ' 37' ' ' VAL . 33.6 m -109.96 -28.76 8.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 13.6 ttm180 -38.95 -42.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -55.5 -43.31 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' CYS . 5.7 mmpt? -65.54 -47.23 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.485 HD11 ' CD1' ' A' ' 60' ' ' ILE . 62.0 mt -53.53 -36.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -58.33 -21.31 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.566 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.38 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.412 HG23 HG22 ' A' ' 22' ' ' THR . 9.4 p -47.24 -26.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.77 -40.36 25.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 44' ' ' ALA . 3.0 t -75.31 -22.27 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -80.31 -39.31 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.1 mt -88.67 -6.62 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m120 66.38 39.5 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.1 m -121.25 149.95 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.27 124.26 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.7 p -39.91 -33.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.0 -48.21 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -49.14 -42.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG1' HG23 ' A' ' 42' ' ' ILE . 96.1 t -73.33 -56.99 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.585 ' CG ' HD22 ' A' ' 34' ' ' LEU . 3.0 ttt-85 -43.67 -38.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.1 m -75.85 -42.96 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -53.66 -44.69 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.485 ' CD1' HD11 ' A' ' 42' ' ' ILE . 92.1 mt -56.65 -58.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.91 -35.66 32.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -72.82 -53.77 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -47.73 -51.14 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.89 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.827 0.346 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 2.0 m -105.36 150.32 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -34.54 -42.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -59.99 -58.85 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.78 -58.76 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -41.96 -49.65 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.15 -43.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.565 HG22 HG23 ' A' ' 45' ' ' VAL . 42.8 m -66.68 -54.02 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.476 HD21 HG22 ' A' ' 56' ' ' VAL . 22.3 mt -54.27 -50.36 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -56.03 -48.6 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -45.31 -42.31 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.47 -33.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.468 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 6.2 t-105 -57.75 -24.91 59.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.22 -4.3 21.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -116.17 15.88 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.13 33.88 11.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.63 32.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' HG23 ' A' ' 60' ' ' ILE . 2.5 t -111.99 52.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 60' ' ' ILE . 1.1 t -160.39 156.2 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.6 mt -94.13 -35.19 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.67 140.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.474 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -44.79 -27.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.8 m -49.66 -38.47 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.2 -23.16 15.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.741 ' HA ' HD12 ' A' ' 42' ' ' ILE . 23.9 ttp180 -47.66 -42.49 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -53.75 -47.02 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -64.42 -40.44 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 39' ' ' ARG . 53.0 mt -57.28 -39.49 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -55.08 -19.63 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.524 ' O ' HG22 ' A' ' 47' ' ' THR . . . -91.98 -63.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 22' ' ' THR . 8.0 p -49.42 -27.56 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.45 -46.66 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 44' ' ' ALA . 4.1 t -70.4 -20.55 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -79.6 -38.16 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.531 HD21 ' CB ' ' A' ' 22' ' ' THR . 98.4 mt -90.34 -7.05 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 62.1 42.42 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -123.61 148.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.409 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 1.7 m-20 -48.38 123.46 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -44.99 -42.64 8.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.94 -41.01 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 52' ' ' ASP . 89.0 mt -52.89 -41.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.521 HG11 HG23 ' A' ' 42' ' ' ILE . 70.0 t -72.31 -60.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.567 ' CG ' HD13 ' A' ' 42' ' ' ILE . 50.0 mtp180 -47.38 -36.36 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.3 m -74.83 -41.02 60.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -56.4 -38.24 71.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.557 HG23 ' HA ' ' A' ' 32' ' ' THR . 77.6 mt -62.13 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -46.01 -45.39 14.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -61.86 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' ARG . 17.1 mmt180 -62.1 -55.12 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' ARG . 61.9 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 39.9 m-85 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.851 0.358 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.6 t -107.83 143.66 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.9 OUTLIER -34.74 -46.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.44 -51.75 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.25 -51.91 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 36.3 mt -46.09 -52.2 12.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.02 -43.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 HG23 ' A' ' 45' ' ' VAL . 37.6 m -64.72 -50.25 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' CE3' ' A' ' 59' ' ' TRP . 10.8 mt -59.32 -57.8 11.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.5 -37.12 16.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -52.79 -52.16 57.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.452 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 35.5 m-85 -65.47 -33.86 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CZ3' HG22 ' A' ' 32' ' ' THR . 9.2 t-105 -56.1 -28.57 58.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.95 -8.85 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.56 17.3 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.12 33.23 29.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -76.31 48.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.651 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 50.7 p -114.79 37.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.9 m -142.94 152.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.47 -30.86 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.24 169.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -56.16 -33.21 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -45.53 -38.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -107.9 -30.79 8.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -42.02 -47.13 4.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -47.36 -45.07 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -71.68 -39.27 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.624 HG21 ' HG3' ' A' ' 57' ' ' ARG . 67.8 mt -61.46 -37.92 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -56.77 -20.83 24.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.49 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.634 HG13 HG21 ' A' ' 56' ' ' VAL . 10.7 p -46.39 -23.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.56 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.8 t -75.07 -22.43 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -81.21 -40.91 23.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.95 -8.72 57.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.24 42.65 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.43 145.66 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -53.6 134.12 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.7 p -39.9 -39.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -57.08 -42.33 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.565 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 42.2 mm -49.93 -36.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.634 HG21 HG13 ' A' ' 45' ' ' VAL . 93.7 t -86.3 -64.63 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.624 ' HG3' HG21 ' A' ' 42' ' ' ILE . 2.5 mtp-105 -39.63 -35.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.5 m -74.15 -38.69 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.473 ' N ' ' O ' ' A' ' 56' ' ' VAL . 68.7 t90 -61.85 -37.38 84.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.543 ' CD1' HD11 ' A' ' 42' ' ' ILE . 74.3 mt -62.25 -63.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.22 -43.5 25.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -65.63 -59.53 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 14.6 tpp180 -45.06 -54.0 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.6 mtp85 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.825 0.345 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 m -74.41 150.78 39.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.36 -55.83 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -51.26 -52.18 47.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' LEU . 13.2 m-20 -59.71 -62.2 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.6 mt -36.69 -52.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.96 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.76 HG22 HG23 ' A' ' 45' ' ' VAL . 88.0 m -56.63 -48.63 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.408 HD21 HG22 ' A' ' 56' ' ' VAL . 11.3 mt -59.52 -61.28 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -48.33 -34.54 10.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -52.46 -48.41 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -69.3 -34.74 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.663 ' CZ3' HG22 ' A' ' 32' ' ' THR . 4.9 t-105 -55.7 -28.04 53.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -11.13 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -108.87 19.22 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.81 34.78 26.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -78.89 46.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.663 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 56.9 p -114.1 37.95 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -138.44 152.11 48.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.61 -25.63 15.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.75 173.58 0.31 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -61.01 -31.12 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.915 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -46.46 -32.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -109.85 -33.8 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -38.05 -54.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -45.57 -43.84 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -68.74 -48.55 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.515 HG21 ' HG3' ' A' ' 57' ' ' ARG . 32.2 mt -55.07 -35.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.24 -21.78 49.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.546 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.88 -62.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.76 HG23 HG22 ' A' ' 22' ' ' THR . 8.0 p -47.82 -26.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.43 -44.65 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.1 t -73.64 -21.47 60.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -77.13 -38.12 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.73 -7.11 57.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.57 39.96 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.09 169.38 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -69.41 117.01 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 m -41.23 -48.06 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -42.14 -44.0 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.5 mt -51.75 -42.51 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG21 HG13 ' A' ' 45' ' ' VAL . 73.1 t -69.41 -58.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 42' ' ' ILE . 20.4 mtp180 -45.58 -45.14 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.7 m -68.13 -35.35 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -64.13 -39.82 94.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.475 ' CD1' HD11 ' A' ' 42' ' ' ILE . 95.3 mt -57.85 -60.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.3 -41.58 62.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -56.11 -58.73 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.5 ttm180 -48.41 -61.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' ARG . 57.6 mtp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -87.3 157.3 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -63.01 -58.92 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.56 -47.84 75.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.5 mt -52.68 -48.39 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.33 -55.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 45' ' ' VAL . 88.5 m -53.23 -52.11 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 56' ' ' VAL . 15.1 mt -61.39 -60.41 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -45.12 -35.69 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -53.75 -51.93 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.3 m-85 -68.82 -32.51 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 32' ' ' THR . 18.3 t-105 -56.53 -26.1 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.25 -12.73 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 18.4 t-20 -106.04 22.21 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.66 33.21 43.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.41 48.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.589 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 69.5 p -105.48 -34.47 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -78.47 141.72 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLY . 5.9 mt -83.52 -28.59 28.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.25 152.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -51.13 -24.13 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.7 p -52.87 -32.29 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.0 m -105.9 -31.95 8.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.636 ' HA ' HD12 ' A' ' 42' ' ' ILE . 19.2 ttm180 -36.94 -43.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -45.27 -54.21 7.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -62.12 -43.9 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' ARG . 86.4 mt -53.67 -43.93 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.67 -15.33 11.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 47' ' ' THR . . . -94.46 -57.64 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 22' ' ' THR . 11.9 p -54.69 -24.98 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.81 -42.51 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.2 t -76.21 -21.73 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -77.28 -37.55 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -89.98 -4.69 57.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 62.63 41.15 9.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -124.23 176.16 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 120.68 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.6 m -39.43 -46.34 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -42.79 -45.83 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -55.25 -40.63 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 23' ' ' LEU . 71.1 t -73.79 -58.67 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.605 ' HG3' HG21 ' A' ' 42' ' ' ILE . 33.5 mtp180 -47.98 -38.01 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.2 m -73.2 -38.61 66.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 63' ' ' ARG . 46.3 t90 -61.03 -37.56 83.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.62 -63.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.479 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -51.7 -48.38 50.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -58.91 -41.56 87.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 28.4 ttt180 -59.71 -55.94 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.479 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 29.6 mtm105 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.877 0.37 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -76.23 147.24 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -38.72 -38.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -70.67 -51.13 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.99 -52.56 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 20.4 mt -48.7 -54.43 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.34 -43.47 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 HG23 ' A' ' 45' ' ' VAL . 57.1 m -67.41 -51.85 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.46 -51.96 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -55.84 -45.65 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -46.95 -44.46 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -72.59 -35.99 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.465 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 2.7 t-105 -53.19 -32.33 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.47 -21.19 35.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -97.32 26.82 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.1 18.95 76.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 ttp -56.39 -24.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.487 ' HA ' HG23 ' A' ' 60' ' ' ILE . 4.3 t -42.51 -23.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' MET . 1.3 t -79.54 155.83 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 57' ' ' ARG . 15.2 mt -107.38 -30.93 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.4 147.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 64.6 m -41.48 -42.93 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p -39.49 -40.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.6 m -96.44 -25.29 15.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.801 ' HA ' HD12 ' A' ' 42' ' ' ILE . 24.3 ttm180 -43.81 -38.56 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.14 -52.66 64.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -56.72 -43.44 80.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 39' ' ' ARG . 40.6 mt -52.48 -37.3 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.92 -23.8 55.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.97 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 42' ' ' ILE . 11.8 p -49.3 -24.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.57 -45.77 20.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -71.97 -22.25 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -78.06 -36.35 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.5 mt -94.07 -7.58 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 62.34 44.6 7.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.93 143.59 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.642 ' N ' HD12 ' A' ' 55' ' ' ILE . 6.5 t70 -44.6 126.26 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.1 p -46.05 -40.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -56.03 -42.63 76.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.642 HD12 ' N ' ' A' ' 52' ' ' ASP . 31.1 mt -52.24 -41.57 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.76 -56.8 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 34' ' ' LEU . 40.6 mtp85 -48.3 -40.57 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -71.48 -38.14 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -63.26 -45.64 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.487 HG23 ' HA ' ' A' ' 32' ' ' THR . 99.1 mt -47.18 -64.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.476 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -55.69 -33.93 60.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.64 -52.75 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -58.64 -43.11 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.476 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 59.2 mtm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.446 ' OG ' ' CZ ' ' A' ' 18' ' ' ARG . 13.3 t -94.36 149.34 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.48 -46.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' CZ ' ' OG ' ' A' ' 16' ' ' SER . 10.7 ptt-85 -56.12 -47.63 77.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.6 m-20 -63.34 -63.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ASP . 30.5 mt -35.6 -45.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.81 -48.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.607 HG22 HG23 ' A' ' 45' ' ' VAL . 47.7 m -59.46 -58.6 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.625 HD21 HG13 ' A' ' 56' ' ' VAL . 11.7 mt -55.23 -62.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -43.04 -38.06 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -51.79 -51.6 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.69 -33.4 75.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.459 ' CH2' HG22 ' A' ' 32' ' ' THR . 34.9 t-105 -54.84 -30.91 58.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -15.99 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -105.13 25.62 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.36 61.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.0 ttp -78.15 46.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.459 HG22 ' CH2' ' A' ' 27' ' ' TRP . 72.1 p -94.48 -38.11 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.38 156.02 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.544 HD21 ' O ' ' A' ' 57' ' ' ARG . 8.2 mt -106.14 -34.62 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.99 177.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' VAL . 3.3 m -49.58 -42.42 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.837 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 16.4 m -36.12 -38.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.65 -35.85 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HA ' HD12 ' A' ' 42' ' ' ILE . 12.0 ttt180 -37.17 -45.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -46.03 -45.58 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -74.71 -39.15 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 39' ' ' ARG . 52.7 mt -59.62 -36.97 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.6 -25.17 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.567 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.67 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.607 HG23 HG22 ' A' ' 22' ' ' THR . 9.4 p -47.67 -24.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.6 -43.31 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.0 t -75.07 -22.37 58.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -78.04 -40.85 37.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.05 -4.67 59.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m120 61.57 43.89 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.46 147.69 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 130.52 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 p -38.1 -39.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.64 -48.9 74.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mm -42.38 -44.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.625 HG13 HD21 ' A' ' 23' ' ' LEU . 70.5 t -77.9 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.544 ' O ' HD21 ' A' ' 34' ' ' LEU . 65.6 mtm180 -37.96 -42.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.6 m -65.6 -42.07 92.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 76.0 t90 -56.7 -43.31 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.7 mt -56.13 -61.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.48 78.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -50.31 -48.94 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.54 -44.78 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.906 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.857 0.361 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.4 t -112.1 150.1 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 5.2 m-20 -36.74 -50.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -55.39 -52.11 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.65 -53.91 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -50.85 -51.0 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 m -58.64 -47.39 84.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 HG21 ' A' ' 45' ' ' VAL . 18.0 mt -59.29 -57.29 13.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -49.78 -39.16 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -52.79 -48.57 66.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.93 -37.13 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.442 ' C ' ' CD1' ' A' ' 27' ' ' TRP . 3.7 t-105 -50.91 -34.98 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -26.88 26.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.443 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 25.2 t-20 -93.36 31.08 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.9 70.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.94 -28.59 66.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.571 ' HA ' HG23 ' A' ' 60' ' ' ILE . 9.3 t -42.46 -28.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -87.66 146.37 25.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' GLY . 6.9 mt -93.53 -74.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.4 -129.94 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 m -123.9 -39.83 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.19 -39.48 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.07 -35.48 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.715 ' HA ' HD12 ' A' ' 42' ' ' ILE . 68.9 ttt180 -38.8 -48.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.44 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -51.56 -48.2 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.931 HG21 ' HG3' ' A' ' 57' ' ' ARG . 17.3 mt -53.15 -36.58 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -56.68 -25.1 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.21 -64.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.497 HG13 HG21 ' A' ' 56' ' ' VAL . 10.8 p -46.23 -27.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.27 -44.33 46.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.1 t -74.09 -22.59 59.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -77.63 -39.25 45.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.8 mt -88.79 -1.37 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 63.18 40.7 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.17 143.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -53.11 136.78 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.52 -45.88 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.43 -41.22 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.5 mm -52.13 -40.53 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 45' ' ' VAL . 72.7 t -85.21 -63.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.931 ' HG3' HG21 ' A' ' 42' ' ' ILE . 43.2 mtp180 -37.33 -38.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 48.8 m -73.53 -42.95 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 27.5 t90 -59.94 -38.82 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.571 HG23 ' HA ' ' A' ' 32' ' ' THR . 81.5 mt -54.09 -64.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.08 -44.34 50.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -52.1 -43.84 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -64.03 -45.51 88.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.926 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.888 0.375 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 t -106.42 157.64 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.97 -45.35 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -63.91 -48.25 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.59 -54.96 41.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' LEU . 34.8 mt -52.48 -49.67 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.88 -36.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.71 HG22 HG23 ' A' ' 45' ' ' VAL . 31.3 m -72.04 -39.7 68.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.694 HD22 ' CE3' ' A' ' 59' ' ' TRP . 12.1 mt -64.17 -66.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -45.02 -43.02 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -42.64 -49.18 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.03 -35.81 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CH2' HG22 ' A' ' 32' ' ' THR . 4.8 t-105 -54.84 -29.48 55.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -65.6 -7.09 13.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -112.44 13.92 20.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 32.68 12.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -79.67 44.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' CH2' ' A' ' 27' ' ' TRP . 58.5 p -111.75 53.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.71 159.82 43.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.486 ' CD2' ' HG2' ' A' ' 57' ' ' ARG . 9.5 mt -108.08 -26.39 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.03 -179.26 3.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 m -57.27 -30.5 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 m -47.75 -37.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 m -108.56 -37.51 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.65 -50.38 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.07 -47.82 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -71.75 -44.6 63.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.663 HD11 HD12 ' A' ' 60' ' ' ILE . 56.9 mt -51.18 -43.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.99 -23.94 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.25 -62.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.71 HG23 HG22 ' A' ' 22' ' ' THR . 9.8 p -48.86 -27.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.56 24.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.0 t -71.63 -21.24 61.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -82.15 -33.68 29.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.707 HD11 ' HB ' ' A' ' 22' ' ' THR . 80.0 mt -95.62 -2.13 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.63 44.38 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.79 153.83 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -57.85 123.92 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.1 p -45.14 -28.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -66.19 -43.2 87.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -50.91 -40.47 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG21 HG13 ' A' ' 45' ' ' VAL . 96.8 t -72.77 -55.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.486 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 7.7 ttp180 -44.88 -43.65 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.1 m -70.32 -40.54 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 23' ' ' LEU . 80.2 t90 -55.09 -40.16 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.663 HD12 HD11 ' A' ' 42' ' ' ILE . 95.2 mt -62.77 -62.27 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.64 -40.46 55.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.5 -50.98 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -54.44 -53.72 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.908 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 21.5 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 m -102.94 156.19 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.4 -55.43 4.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -48.03 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.693 ' OD1' HD22 ' A' ' 49' ' ' LEU . 8.3 m-20 -58.32 -65.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' ASP . 14.7 mt -34.42 -51.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.85 -51.18 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.981 HG22 HG23 ' A' ' 45' ' ' VAL . 59.9 m -57.17 -54.28 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.77 HD21 HG13 ' A' ' 56' ' ' VAL . 13.2 mt -60.42 -58.92 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -51.05 -33.42 25.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -57.84 -46.4 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -68.12 -32.03 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.606 ' CH2' HG22 ' A' ' 32' ' ' THR . 8.2 t-105 -57.0 -27.38 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.72 -8.0 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -111.79 18.91 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.87 33.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.409 ' O ' ' HE3' ' A' ' 31' ' ' MET . 4.5 ttp -77.36 48.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.606 HG22 ' CH2' ' A' ' 27' ' ' TRP . 64.2 p -106.8 -31.68 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -77.73 140.01 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -83.33 -31.79 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.55 158.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 3.2 m -47.44 -39.35 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' SER . 4.3 p -37.13 -34.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' LYS . 70.9 m -106.72 -35.12 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.688 ' HA ' HD12 ' A' ' 42' ' ' ILE . 49.0 ttt180 -37.46 -39.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -58.52 -45.12 89.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . 20.8 mmmt -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 39' ' ' ARG . 25.6 mt -51.32 -44.99 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.0 -22.05 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 47' ' ' THR . . . -87.38 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.981 HG23 HG22 ' A' ' 22' ' ' THR . 8.1 p -48.54 -27.18 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.56 -45.53 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.6 t -72.15 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.64 -31.7 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.693 HD22 ' OD1' ' A' ' 19' ' ' ASP . 86.2 mt -96.06 -5.8 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 60.48 42.7 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 m -124.91 169.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -71.34 121.11 17.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 m -39.93 -46.04 1.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -44.85 -53.02 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.499 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 73.8 mt -47.47 -39.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.77 HG13 HD21 ' A' ' 23' ' ' LEU . 74.9 t -73.33 -59.93 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.556 ' CG ' HD13 ' A' ' 42' ' ' ILE . 38.4 mtp85 -48.97 -36.95 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.8 m -73.28 -37.94 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.84 -34.82 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.21 -60.43 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.12 -41.28 45.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.06 -49.02 79.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -53.63 -58.81 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.853 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -73.68 140.69 46.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.31 -48.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -58.59 -53.41 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.38 -51.37 65.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 21.6 mt -50.3 -52.71 34.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.39 -47.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -62.58 -55.41 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.605 HD21 HG13 ' A' ' 56' ' ' VAL . 11.3 mt -53.24 -60.87 2.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -48.4 -37.51 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -54.56 -46.02 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -69.17 -36.55 77.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.557 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 5.0 t-105 -52.03 -32.68 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -25.75 25.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -94.33 27.91 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.65 73.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.412 ' CE ' HG12 ' A' ' 60' ' ' ILE . 3.5 ttp -54.46 -22.72 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.557 ' HB ' ' CH2' ' A' ' 27' ' ' TRP . 3.1 t -43.53 -28.79 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -68.92 145.53 53.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.57 HD21 ' O ' ' A' ' 57' ' ' ARG . 12.9 mt -97.84 -37.62 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.34 150.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 15.6 t -41.5 -46.13 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.4 m -34.09 -38.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' SER . 2.1 m -97.84 -34.43 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.814 ' HA ' HD12 ' A' ' 42' ' ' ILE . 35.6 ttp85 -38.85 -39.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.51 -45.01 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 39' ' ' ARG . 52.0 mt -51.02 -41.95 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.0 -26.35 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.31 -61.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 42' ' ' ILE . 9.8 p -51.55 -23.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.91 -44.35 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -72.1 -22.12 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -77.79 -39.74 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.37 -5.38 58.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 t30 66.22 39.52 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -127.06 140.18 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.42 129.99 16.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -42.25 -53.15 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -41.82 -45.14 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.95 -40.05 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.605 HG13 HD21 ' A' ' 23' ' ' LEU . 89.9 t -77.83 -60.81 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.57 ' O ' HD21 ' A' ' 34' ' ' LEU . 1.6 ttt-85 -44.3 -36.71 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.4 m -73.92 -43.76 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -59.74 -39.52 85.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.512 HG23 ' HA ' ' A' ' 32' ' ' THR . 90.1 mt -51.45 -63.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.15 -43.13 56.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -45.61 -44.3 12.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -63.66 -55.7 21.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' OG1' ' A' ' 32' ' ' THR . 9.9 mtt-85 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.857 0.361 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . 74.3 m -110.49 155.36 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' SER . 23.5 m-20 -37.58 -43.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -60.82 -55.53 31.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -56.37 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.4 mt -41.97 -51.27 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.04 -52.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.447 HG22 HG23 ' A' ' 45' ' ' VAL . 41.5 m -56.03 -50.26 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.6 HD23 HG21 ' A' ' 45' ' ' VAL . 16.5 mt -59.92 -62.17 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -44.83 -33.99 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.9 -52.37 63.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.561 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 33.9 m-85 -66.02 -33.54 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.519 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 6.8 t-105 -55.65 -30.36 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.79 -11.23 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 10.9 t-20 -107.26 21.36 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.83 45.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.6 ttp -75.96 48.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.457 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 39.7 p -114.95 44.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -150.54 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 57' ' ' ARG . 9.6 mt -99.35 -34.07 10.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.41 171.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 p -56.54 -34.94 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -44.39 -33.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 m -109.9 -31.73 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HA ' HD12 ' A' ' 42' ' ' ILE . 41.1 ttp180 -42.07 -51.18 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -39.63 -44.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -76.03 -42.81 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.731 HG21 ' HG3' ' A' ' 57' ' ' ARG . 60.2 mt -55.7 -39.62 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -59.0 -16.16 16.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 47' ' ' THR . . . -94.01 -61.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.6 HG21 HD23 ' A' ' 23' ' ' LEU . 12.0 p -49.25 -26.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.08 -44.2 26.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.0 t -73.91 -22.24 59.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -79.04 -41.69 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -87.56 -13.53 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.18 44.26 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.23 147.91 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.93 120.45 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 p -40.01 -36.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -58.05 -45.22 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.0 mt -49.76 -38.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.05 -62.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.731 ' HG3' HG21 ' A' ' 42' ' ' ILE . 33.7 mtp85 -43.55 -42.98 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 m -70.4 -38.22 74.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -58.33 -43.08 88.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.1 mt -55.64 -62.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.48 -33.9 33.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -67.37 -66.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 16.3 ttt85 -39.09 -46.96 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.912 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.896 0.379 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 t -87.09 158.1 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.28 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -60.51 -58.45 8.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.61 -52.67 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -46.25 -51.32 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.79 -51.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.728 HG22 HG23 ' A' ' 45' ' ' VAL . 42.0 m -55.28 -56.72 16.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.727 HD23 HG21 ' A' ' 45' ' ' VAL . 24.0 mt -57.87 -62.76 1.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -42.74 -32.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -55.4 -55.86 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.97 -33.47 75.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.53 ' CH2' HG22 ' A' ' 32' ' ' THR . 7.4 t-105 -55.09 -28.94 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.87 -15.35 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -106.11 22.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.1 38.26 35.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.5 ttp -78.91 45.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.53 HG22 ' CH2' ' A' ' 27' ' ' TRP . 34.4 p -111.21 48.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.36 160.08 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -102.25 -40.58 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.5 170.95 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 37' ' ' VAL . 6.2 m -44.06 -42.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 36' ' ' SER . 7.7 p -35.93 -38.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' ARG . 29.2 m -109.42 -40.1 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.7 tpp85 -37.12 -43.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.4 -52.54 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -65.63 -43.53 89.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.953 HD13 ' HG2' ' A' ' 57' ' ' ARG . 41.4 mt -53.5 -41.9 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.39 -23.81 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' ' 47' ' ' THR . . . -86.31 -63.03 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.728 HG23 HG22 ' A' ' 22' ' ' THR . 7.7 p -48.92 -25.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -46.53 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -70.34 -22.48 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.14 -37.72 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -92.09 -11.44 35.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 62.28 44.78 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 55' ' ' ILE . 21.0 m -125.16 156.05 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.38 118.02 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.9 p -39.93 -38.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -54.7 -44.47 73.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.481 HD12 ' HB ' ' A' ' 51' ' ' VAL . 88.5 mt -50.16 -42.15 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.506 HG13 HD21 ' A' ' 23' ' ' LEU . 71.6 t -76.76 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.953 ' HG2' HD13 ' A' ' 42' ' ' ILE . 42.3 mtp180 -40.43 -44.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 m -67.53 -39.54 85.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -56.24 -40.7 74.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.578 HG22 HH11 ' A' ' 64' ' ' ARG . 81.8 mt -59.27 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.443 ' HA2' ' CZ ' ' A' ' 64' ' ' ARG . . . -52.47 -41.27 55.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.39 -55.99 25.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' ARG . 13.9 ttt180 -47.86 -63.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.578 HH11 HG22 ' A' ' 60' ' ' ILE . 83.9 mtm-85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.849 0.357 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 5.6 t -72.03 148.98 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -37.6 -56.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -51.22 -47.13 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -60.23 -51.9 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 37.1 mt -54.75 -49.24 71.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.72 -55.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.825 HG22 HG23 ' A' ' 45' ' ' VAL . 87.2 m -55.56 -48.63 74.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.429 HD22 ' CE3' ' A' ' 59' ' ' TRP . 13.8 mt -60.38 -62.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.09 -37.59 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -48.26 -54.18 14.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -68.04 -33.89 75.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CZ3' HG22 ' A' ' 32' ' ' THR . 8.0 t-105 -54.56 -31.77 57.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.62 -15.4 39.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -104.21 23.22 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.01 32.95 51.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.68 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 50.8 p -116.36 40.46 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.4 m -140.19 145.1 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 ' O ' ' A' ' 57' ' ' ARG . 9.5 mt -89.81 -35.19 15.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.54 172.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.447 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 17.6 p -59.03 -35.84 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.57 -36.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.4 m -109.78 -33.47 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.447 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 8.5 ttt-85 -37.29 -53.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.32 -43.96 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -71.35 -44.18 65.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.446 HG23 ' HB ' ' A' ' 56' ' ' VAL . 95.4 mt -55.73 -37.43 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.7 -26.49 45.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.595 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.57 -63.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.825 HG23 HG22 ' A' ' 22' ' ' THR . 7.8 p -47.49 -27.21 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 51' ' ' VAL . . . -75.24 -45.19 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.2 t -73.34 -22.51 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -76.67 -40.02 50.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.22 -4.19 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 68.84 36.84 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.425 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 34.6 m -124.38 150.94 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' CYS . 31.1 t0 -63.99 133.08 52.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' ASP . 62.4 m -34.42 -49.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -43.73 -58.62 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' GLU . 49.8 mm -35.39 -37.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.551 HG21 HG13 ' A' ' 45' ' ' VAL . 90.4 t -88.2 -61.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.518 ' O ' HD21 ' A' ' 34' ' ' LEU . 1.2 ttt-85 -38.83 -41.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.6 m -75.74 -43.87 44.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.447 ' CZ2' ' HG3' ' A' ' 63' ' ' ARG . 47.2 t90 -54.66 -38.08 66.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.428 ' CD1' HD11 ' A' ' 42' ' ' ILE . 86.6 mt -60.41 -61.29 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.03 -42.71 31.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -63.12 -44.09 96.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 9.8 mmp_? -61.51 -54.94 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' ARG . 48.4 mtp180 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.899 0.381 . . . . 0.0 110.857 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ASP . 50.9 m -113.12 149.11 34.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' SER . 27.6 t70 -36.55 -43.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -61.37 -60.59 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.62 -47.61 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 21' ' ' ALA . 44.9 mt -58.14 -52.05 67.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.71 -46.52 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.568 HG22 HG23 ' A' ' 45' ' ' VAL . 25.7 m -62.21 -49.33 76.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.441 HD22 ' CE3' ' A' ' 59' ' ' TRP . 14.6 mt -59.48 -60.76 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -45.67 -37.78 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -52.52 -54.55 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 91.0 m-85 -64.46 -36.65 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 2.8 t-105 -57.9 -25.24 60.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -80.24 -3.71 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -111.88 16.17 20.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.04 18.45 43.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.437 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.6 ttp -80.72 42.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 43.0 p -87.38 -40.84 14.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -95.97 172.64 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.501 HD22 ' HG2' ' A' ' 57' ' ' ARG . 8.1 mt -109.71 -68.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.88 -118.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.12 -40.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.1 -38.79 30.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.844 ' HA ' HD12 ' A' ' 42' ' ' ILE . 19.5 ttp85 -39.47 -42.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.06 -51.53 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.42 -46.69 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 39' ' ' ARG . 18.3 mt -52.26 -37.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.21 -26.62 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.32 -59.64 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.577 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 12.3 p -53.77 -23.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.31 -44.04 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.3 t -73.89 -22.55 59.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -79.16 -40.94 29.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -89.21 -10.32 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.67 44.72 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.3 m -124.96 144.47 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 55' ' ' ILE . 13.5 t0 -51.59 133.58 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -38.62 -45.22 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -52.57 -42.56 64.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' ASP . 29.1 mm -49.66 -37.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG21 HG13 ' A' ' 45' ' ' VAL . 96.3 t -87.43 -69.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.811 ' HG3' HD13 ' A' ' 42' ' ' ILE . 33.0 mtp180 -39.94 -35.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.1 m -76.51 -46.18 27.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.441 ' CE3' HD22 ' A' ' 23' ' ' LEU . 48.7 t90 -53.25 -39.57 63.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.1 mt -59.71 -62.7 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.62 -46.63 81.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -51.45 -46.69 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -66.18 -60.51 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.867 0.365 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -72.03 174.1 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.03 -42.72 29.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -64.42 -57.26 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.17 -57.35 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.8 mt -48.06 -50.53 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.12 -46.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.631 HG22 HG23 ' A' ' 45' ' ' VAL . 66.7 m -58.95 -54.71 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.626 HD21 HG13 ' A' ' 56' ' ' VAL . 14.5 mt -59.33 -46.57 88.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' TRP . 53.1 mtpt -55.01 -51.0 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -39.94 -46.37 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -71.79 -35.03 69.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 3.5 t-105 -54.88 -26.67 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -18.91 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -103.04 26.06 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.4 33.88 61.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -75.18 5.17 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.449 ' HA ' HG23 ' A' ' 60' ' ' ILE . 4.3 t -81.74 39.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -142.82 147.6 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' GLY . 11.4 mt -87.18 -33.15 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.33 143.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.1 t -37.88 -44.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.844 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 38' ' ' CYS . 27.6 m -34.06 -43.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.457 ' N ' HG23 ' A' ' 37' ' ' VAL . 61.8 m -84.57 -37.25 21.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 42' ' ' ILE . 32.9 ttp180 -37.27 -44.95 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -56.67 -53.03 62.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.19 -45.31 93.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.766 HD13 ' HG2' ' A' ' 57' ' ' ARG . 55.4 mt -50.43 -40.21 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -54.06 -26.49 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.43 -63.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.631 HG23 HG22 ' A' ' 22' ' ' THR . 9.6 p -49.85 -27.5 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.71 -45.6 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.5 t -72.46 -22.09 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -78.81 -40.7 32.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.17 -6.85 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.68 46.17 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.1 m -125.51 147.84 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.91 123.8 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -42.35 -36.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.35 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.31 -41.56 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.626 HG13 HD21 ' A' ' 23' ' ' LEU . 74.3 t -71.4 -58.91 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.766 ' HG2' HD13 ' A' ' 42' ' ' ILE . 29.9 mtp180 -47.43 -37.3 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.3 m -71.98 -36.82 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -59.06 -40.23 84.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.449 HG23 ' HA ' ' A' ' 32' ' ' THR . 90.1 mt -59.35 -64.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.91 38.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.8 -56.36 23.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.55 -53.87 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.904 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.557 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 39.3 m-85 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.858 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -83.63 147.37 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -41.06 -51.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -52.52 -55.94 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -58.18 9.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ALA . 14.3 mt -40.14 -51.64 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.06 -52.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -57.94 -57.46 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 45' ' ' VAL . 13.1 mt -55.7 -59.66 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.62 -44.91 9.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.95 -45.46 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 84.4 m-85 -69.5 -37.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.1 -19.37 43.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.69 -3.92 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -113.15 16.08 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.5 29.19 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.435 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.9 ttp -83.01 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.488 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 38.3 p -83.61 -35.37 24.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -100.91 174.15 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 57' ' ' ARG . 10.7 mt -105.46 -71.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.03 -133.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -118.97 -41.48 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.916 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.78 -29.43 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.5 m -99.74 -32.55 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.694 ' HA ' HD12 ' A' ' 42' ' ' ILE . 28.0 ttm180 -41.37 -43.93 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.97 -54.98 27.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HE3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -50.66 -48.53 58.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.798 HG21 ' HG3' ' A' ' 57' ' ' ARG . 26.9 mt -53.88 -42.88 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -54.4 -20.73 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 47' ' ' THR . . . -89.55 -63.61 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 23' ' ' LEU . 11.6 p -47.88 -27.79 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.76 -47.05 27.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.6 t -71.75 -22.24 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.0 mt -92.59 -4.13 53.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 56.48 46.44 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.15 143.42 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.11 121.99 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.3 p -40.26 -40.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.24 -45.68 68.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.557 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 83.9 mt -50.75 -43.5 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.637 HG13 HD21 ' A' ' 23' ' ' LEU . 85.8 t -74.75 -64.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.798 ' HG3' HG21 ' A' ' 42' ' ' ILE . 43.2 mtp180 -43.25 -38.71 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.3 m -72.46 -38.19 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -59.4 -39.17 82.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.3 mt -61.14 -64.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.65 -42.21 20.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -62.85 -46.86 85.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -54.7 -59.31 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 9.6 mtp-105 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.877 0.37 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -90.21 162.1 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.26 -43.82 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -62.15 -53.2 58.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.18 -47.53 80.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.1 mt -57.25 -50.66 72.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.07 -49.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.833 HG22 HG23 ' A' ' 45' ' ' VAL . 26.0 m -59.52 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CD2' ' A' ' 59' ' ' TRP . 14.6 mt -53.38 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -44.19 -42.88 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -47.57 -55.03 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.457 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 97.1 m-85 -65.63 -37.1 85.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.48 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 13.6 t-105 -57.75 -26.18 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.82 -3.77 52.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -110.95 18.1 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.9 15.34 56.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.433 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.3 ttp -79.47 44.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 30.8 p -88.21 -41.05 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -97.64 173.73 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.9 mt -108.39 -68.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.8 -116.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -129.28 -50.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 38' ' ' CYS . 7.6 p -47.17 -42.28 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.435 ' N ' HG13 ' A' ' 37' ' ' VAL . 64.5 m -77.22 -39.57 48.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 42' ' ' ILE . 13.9 ttp85 -37.98 -43.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -55.44 -51.84 65.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -56.47 -48.7 76.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.832 HG21 ' HG3' ' A' ' 57' ' ' ARG . 18.8 mt -51.4 -41.42 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.38 -22.56 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 47' ' ' THR . . . -86.92 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.855 HG13 HG21 ' A' ' 56' ' ' VAL . 8.1 p -51.88 -24.52 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.82 -43.41 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -74.74 -22.42 58.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -80.8 -37.6 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.8 mt -91.06 -4.68 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 m120 60.71 44.73 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.03 145.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -53.43 133.26 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.7 m -38.93 -48.38 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -43.51 -43.48 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -49.78 -41.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.855 HG21 HG13 ' A' ' 45' ' ' VAL . 78.9 t -83.27 -67.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.832 ' HG3' HG21 ' A' ' 42' ' ' ILE . 47.8 mtp85 -38.84 -41.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.9 m -71.52 -37.94 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.597 ' CD2' HD13 ' A' ' 23' ' ' LEU . 37.5 t90 -62.76 -43.9 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' THR . 81.7 mt -52.48 -59.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.66 -42.94 59.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -59.7 -47.05 87.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 45.5 ttt85 -54.47 -52.97 60.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.841 0.353 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 t -95.04 151.98 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -45.56 -42.44 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 3.4 ptp180 -66.07 -36.18 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.486 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 75.6 m-20 -72.25 -56.76 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.43 -47.06 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.25 -51.48 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.585 HG22 HG23 ' A' ' 45' ' ' VAL . 22.8 m -56.24 -48.22 76.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -41.87 -47.88 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.81 -37.59 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 3.2 t-105 -53.22 -30.26 36.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -57.5 -21.99 41.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -100.72 27.32 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.67 74.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.426 ' O ' HD13 ' A' ' 60' ' ' ILE . 4.7 ttp -71.33 0.63 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.507 ' HA ' HG23 ' A' ' 60' ' ' ILE . 8.5 t -81.82 39.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -139.13 130.96 27.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' GLY . 12.7 mt -73.12 -33.69 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.42 134.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ARG . 9.4 t -40.78 -44.47 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 38' ' ' CYS . 7.5 p -36.6 -41.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.432 ' N ' HG13 ' A' ' 37' ' ' VAL . 8.2 m -88.83 -31.96 18.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 42' ' ' ILE . 37.1 ttp180 -40.14 -38.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.97 -49.34 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.17 -46.71 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 ' CG1' ' A' ' 56' ' ' VAL . 64.2 mt -52.07 -37.72 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.17 -26.78 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 47' ' ' THR . . . -82.63 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.585 HG23 HG22 ' A' ' 22' ' ' THR . 8.6 p -48.45 -26.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.14 -46.12 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.4 t -72.14 -22.19 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.29 -36.9 33.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.31 -6.59 52.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 63.61 41.88 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.47 147.58 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -48.31 126.0 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 p -48.85 -24.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -70.32 -43.11 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.0 mt -51.69 -36.74 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.692 ' CG1' HG23 ' A' ' 42' ' ' ILE . 66.7 t -75.64 -57.17 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.497 ' HG3' HG21 ' A' ' 42' ' ' ILE . 48.8 mtp180 -49.25 -38.31 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -72.45 -38.23 68.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -57.34 -39.39 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 32' ' ' THR . 92.7 mt -61.35 -61.59 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.15 -37.66 17.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -67.11 -59.59 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -42.74 -56.05 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.911 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -127.56 176.02 7.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.888 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -102.46 -49.42 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.88 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.17 88.31 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.482 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -92.56 86.5 5.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.92 0.39 . . . . 0.0 110.853 -179.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -142.77 143.78 32.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.908 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -158.97 -129.54 1.07 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.525 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -166.21 156.67 12.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.799 0.333 . . . . 0.0 111.114 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -88.76 153.06 21.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.95 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 tt0 -161.6 156.9 23.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -75.19 -50.28 16.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 64.6 mtt180 -124.7 107.3 10.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.6 p -102.3 115.16 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -119.2 151.44 38.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.92 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -89.12 161.41 16.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.862 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 17' ' ' ASP . 40.9 m -112.01 152.62 27.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.865 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.425 ' C ' ' O ' ' A' ' 16' ' ' SER . 10.2 m-20 -36.25 -47.83 0.6 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.3 mmm-85 -62.26 -51.44 67.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -55.97 -49.38 73.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.6 -47.41 83.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.82 -44.67 1.06 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.089 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.605 HG22 HG23 ' A' ' 45' ' ' VAL . 94.8 m -67.6 -54.43 19.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.136 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.463 HD21 HG13 ' A' ' 56' ' ' VAL . 6.5 mt -55.23 -61.87 2.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.411 ' C ' ' HD3' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -48.48 -32.01 7.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -43.3 79.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.89 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 44.3 m-85 -72.19 -32.36 66.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.908 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.573 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 9.7 t-105 -57.0 -25.9 59.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.6 -8.72 29.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -112.08 17.32 19.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.0 33.15 27.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.69 48.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.882 0.372 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.57 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 71.1 p -100.04 -31.47 11.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.199 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.4 t -72.57 157.12 38.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.646 HD21 ' O ' ' A' ' 57' ' ' ARG . 14.8 mt -106.95 -35.35 6.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -47.5 172.47 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.481 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.4 m -50.1 -33.46 18.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.896 0.379 . . . . 0.0 110.872 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 p -44.01 -42.11 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.3 m -104.64 -32.57 8.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.911 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.725 ' HA ' HD12 ' A' ' 42' ' ' ILE . 14.9 ttt180 -39.43 -49.92 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.845 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -41.22 -45.7 2.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.89 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -71.86 -41.62 67.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 39' ' ' ARG . 76.8 mt -54.81 -42.5 62.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -53.36 -22.79 8.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.468 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.92 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.605 HG23 HG22 ' A' ' 22' ' ' THR . 8.5 p -51.01 -27.38 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.109 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.02 -45.18 20.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.468 HG22 ' O ' ' A' ' 44' ' ' ALA . 3.5 t -73.3 -22.37 60.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.201 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -77.96 -41.33 36.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 81.7 mt -86.63 -12.86 47.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 67.87 44.83 1.49 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.9 m -127.74 149.28 32.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.133 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -50.72 122.54 7.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.863 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.3 p -40.57 -41.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -52.97 -48.31 67.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 79.0 mt -48.08 -37.82 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.164 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.463 HG13 HD21 ' A' ' 23' ' ' LEU . 55.2 t -78.5 -59.74 2.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.646 ' O ' HD21 ' A' ' 34' ' ' LEU . 44.4 mtp180 -43.12 -41.27 3.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.848 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.3 m -67.68 -41.99 82.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.166 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 63.6 t90 -55.94 -39.63 71.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.5 mt -57.95 -64.36 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.122 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.03 -40.49 58.64 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.5 m-20 -56.19 -58.37 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.81 0.338 . . . . 0.0 110.845 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.573 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 54.9 ttt180 -47.73 -56.69 6.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' ARG . 38.5 mtm180 -34.51 -52.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.9 ttm180 -57.83 -52.58 64.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.8 tptt -38.52 -47.52 1.3 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -65.27 -49.53 69.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' GLY . 7.8 ttm180 -44.47 -48.26 10.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -44.09 -42.84 6.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.917 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 21.3 mtp -75.69 -24.97 56.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 104.63 41.74 1.96 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.449 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 26.8 mm -90.83 139.07 18.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.12 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -88.14 44.89 1.23 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.535 ' O ' HG22 ' A' ' 74' ' ' VAL . 12.5 p -83.32 44.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.7 t -60.75 -54.63 42.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.86 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 163.53 -94.95 0.12 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.529 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 169.64 18.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 1.8 m -93.52 -58.58 2.24 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 t -167.38 156.86 10.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.511 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 p -136.63 161.71 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.927 0.394 . . . . 0.0 110.821 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.4 t -122.17 169.29 11.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.86 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.81 -176.81 21.7 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.486 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.1 m -156.94 132.43 9.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -108.78 119.33 39.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.819 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.71 163.51 29.12 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -130.86 82.53 2.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 111.08 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 10' ' ' GLN . 4.4 tt -131.42 115.22 15.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' O ' HD23 ' A' ' 9' ' ' LEU . 15.1 tp60 -58.28 135.0 57.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -162.94 173.49 13.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.9 ttp180 -123.39 119.0 28.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.855 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.5 t -78.22 145.2 35.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -86.04 147.47 26.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.941 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -106.93 152.48 23.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.1 m -106.66 163.48 12.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -48.67 -44.64 37.89 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 49.3 ttp85 -59.92 -53.35 58.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -60.05 -59.88 4.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 24.8 mt -41.7 -46.95 3.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.22 -39.85 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.12 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.412 HG22 HG23 ' A' ' 45' ' ' VAL . 74.5 m -67.41 -57.26 6.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.165 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.404 HD21 HG13 ' A' ' 56' ' ' VAL . 7.7 mt -55.11 -59.21 5.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.938 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.4 mtpp -47.46 -41.59 20.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 tttt -48.68 -45.75 39.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.876 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -66.83 -38.36 86.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.56 ' CH2' HG22 ' A' ' 32' ' ' THR . 5.9 t-105 -54.45 -26.14 29.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -64.56 -8.73 15.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.849 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -115.52 18.91 15.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.91 44.81 11.36 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.457 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -84.06 34.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.56 HG22 ' CH2' ' A' ' 27' ' ' TRP . 34.2 p -89.56 -32.89 16.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 58.4 m -71.99 145.44 48.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.832 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.585 HD22 ' CG ' ' A' ' 57' ' ' ARG . 45.3 mt -99.6 -29.53 12.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.938 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.18 161.89 0.66 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.479 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.419 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 2.0 t -41.58 -37.23 1.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.908 0.385 . . . . 0.0 110.827 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.465 HG13 ' N ' ' A' ' 38' ' ' CYS . 8.7 p -40.08 -43.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.465 ' N ' HG13 ' A' ' 37' ' ' VAL . 33.6 m -109.96 -28.76 8.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.419 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 13.6 ttm180 -38.95 -42.93 0.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -55.5 -43.31 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 38' ' ' CYS . 5.7 mmpt? -65.54 -47.23 76.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.485 HD11 ' CD1' ' A' ' 60' ' ' ILE . 62.0 mt -53.53 -36.46 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -58.33 -21.31 49.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.566 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.38 -62.31 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.412 HG23 HG22 ' A' ' 22' ' ' THR . 9.4 p -47.24 -26.07 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.102 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.77 -40.36 25.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.566 HG22 ' O ' ' A' ' 44' ' ' ALA . 3.0 t -75.31 -22.27 57.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.163 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -80.31 -39.31 28.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 79.1 mt -88.67 -6.62 57.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.9 m120 66.38 39.5 3.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 30.1 m -121.25 149.95 24.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.14 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -59.27 124.26 19.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.842 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 25.7 p -39.91 -33.53 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -58.0 -48.21 80.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.0 mt -49.14 -42.64 15.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.103 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.444 ' CG1' HG23 ' A' ' 42' ' ' ILE . 96.1 t -73.33 -56.99 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.132 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.585 ' CG ' HD22 ' A' ' 34' ' ' LEU . 3.0 ttt-85 -43.67 -38.08 2.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.815 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 69.1 m -75.85 -42.96 48.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.158 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 76.1 t90 -53.66 -44.69 69.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.485 ' CD1' HD11 ' A' ' 42' ' ' ILE . 92.1 mt -56.65 -58.96 3.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -50.91 -35.66 32.42 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.52 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 m-20 -72.82 -53.77 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 0.0 110.896 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? -47.73 -51.14 23.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 59.2 mtp180 -45.29 -59.2 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -59.03 -51.34 70.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HA ' HD23 ' A' ' 69' ' ' LEU . 20.7 mmtm -46.51 -25.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.436 ' O ' ' N ' ' A' ' 70' ' ' MET . 5.2 m-85 -93.79 -70.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 41.2 ttt85 -39.55 -38.29 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.73 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -61.11 -42.64 98.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.568 ' CE ' HD11 ' A' ' 72' ' ' ILE . 13.6 ttp -68.99 -24.29 64.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.415 ' C ' HD12 ' A' ' 72' ' ' ILE . . . 119.01 33.49 1.14 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.525 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 72' ' ' ILE . 1.6 mp -100.17 108.11 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.099 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.45 117.66 4.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.428 ' O ' ' C ' ' A' ' 75' ' ' SER . 6.0 p -161.04 130.1 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.154 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 74' ' ' VAL . 44.2 t -35.73 141.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -161.32 -160.65 10.96 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 101.76 0.95 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.602 2.201 . . . . 0.0 112.366 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 46.8 t -121.98 153.13 38.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.839 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 24.9 p -140.53 161.23 38.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.525 -179.967 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.2 p -93.09 87.83 5.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.925 0.393 . . . . 0.0 110.848 -179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.2 m -152.88 128.18 9.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.869 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.0 113.32 0.56 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.469 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -149.22 139.63 22.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.367 . . . . 0.0 110.849 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.8 m -109.17 138.19 45.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.58 50.39 2.06 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.536 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -155.2 158.67 39.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 0.0 111.147 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.697 ' H ' HD23 ' A' ' 9' ' ' LEU . 2.2 pt? -121.82 162.23 21.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.922 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -90.38 -48.28 7.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 78.9 m-20 -146.48 116.44 7.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.429 ' HG2' HD11 ' A' ' 9' ' ' LEU . 56.4 mtp180 -41.88 128.71 3.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.7 m -126.34 93.72 3.88 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.36 135.76 34.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.924 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -99.29 155.92 17.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 17' ' ' ASP . 2.0 m -105.36 150.32 25.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.436 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.3 OUTLIER -34.54 -42.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.824 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 78.5 mtm-85 -59.99 -58.85 6.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -59.78 -58.76 7.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.5 mt -41.96 -49.65 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.15 -43.45 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.111 179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.565 HG22 HG23 ' A' ' 45' ' ' VAL . 42.8 m -66.68 -54.02 27.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.125 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD21 HG22 ' A' ' 56' ' ' VAL . 22.3 mt -54.27 -50.36 67.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.93 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -56.03 -48.6 75.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 25.0 tttt -45.31 -42.31 9.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -72.47 -33.69 67.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.899 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.468 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 6.2 t-105 -57.75 -24.91 59.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -70.22 -4.3 21.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.873 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.1 m-20 -116.17 15.88 15.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 87.13 33.88 11.46 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.457 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.7 ttp -84.63 32.57 0.52 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.844 0.354 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.557 ' HA ' HG23 ' A' ' 60' ' ' ILE . 2.5 t -111.99 52.3 0.77 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.409 ' N ' HG21 ' A' ' 60' ' ' ILE . 1.1 t -160.39 156.2 25.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' GLY . 17.6 mt -94.13 -35.19 12.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.67 140.26 0.21 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.474 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -44.79 -27.75 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.95 0.405 . . . . 0.0 110.883 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 34.8 m -49.66 -38.47 13.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 85.3 m -99.2 -23.16 15.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.741 ' HA ' HD12 ' A' ' 42' ' ' ILE . 23.9 ttp180 -47.66 -42.49 24.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -53.75 -47.02 71.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 33.2 mmtm -64.42 -40.44 95.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.91 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.741 HD12 ' HA ' ' A' ' 39' ' ' ARG . 53.0 mt -57.28 -39.49 68.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.115 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -55.08 -19.63 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.524 ' O ' HG22 ' A' ' 47' ' ' THR . . . -91.98 -63.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.106 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.565 HG23 HG22 ' A' ' 22' ' ' THR . 8.0 p -49.42 -27.56 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.45 -46.66 21.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.524 HG22 ' O ' ' A' ' 44' ' ' ALA . 4.1 t -70.4 -20.55 62.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.109 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -79.6 -38.16 34.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.531 HD21 ' CB ' ' A' ' 22' ' ' THR . 98.4 mt -90.34 -7.05 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.92 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.4 m120 62.1 42.42 9.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 33.1 m -123.61 148.57 27.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.409 ' HB2' ' CD1' ' A' ' 55' ' ' ILE . 1.7 m-20 -48.38 123.46 6.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.808 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -44.99 -42.64 8.44 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.854 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 -53.94 -41.01 67.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.409 ' CD1' ' HB2' ' A' ' 52' ' ' ASP . 89.0 mt -52.89 -41.47 40.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.521 HG11 HG23 ' A' ' 42' ' ' ILE . 70.0 t -72.31 -60.29 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.567 ' CG ' HD13 ' A' ' 42' ' ' ILE . 50.0 mtp180 -47.38 -36.36 9.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.9 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.3 m -74.83 -41.02 60.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.105 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -56.4 -38.24 71.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.557 HG23 ' HA ' ' A' ' 32' ' ' THR . 77.6 mt -62.13 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.142 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -46.01 -45.39 14.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.527 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 46.9 m-20 -61.86 -44.89 95.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' O ' ' C ' ' A' ' 64' ' ' ARG . 17.1 mmt180 -62.1 -55.12 32.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.875 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' ARG . 61.9 mtp180 -34.54 -47.88 0.34 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.91 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -66.48 -49.23 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.609 ' HA ' HD12 ' A' ' 69' ' ' LEU . 73.3 mttt -41.71 -49.25 4.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.947 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.562 ' HD1' HD13 ' A' ' 72' ' ' ILE . 94.4 m-85 -60.99 -58.84 6.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.417 ' O ' ' N ' ' A' ' 71' ' ' GLY . 31.4 tpt85 -47.27 -49.58 23.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 66' ' ' LYS . 34.7 mt -44.46 -43.99 8.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.6 mtp -73.1 -25.56 60.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 107.42 33.38 3.16 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.493 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.562 HD13 ' HD1' ' A' ' 67' ' ' TYR . 18.8 mt -95.33 141.57 14.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.811 0.338 . . . . 0.0 111.096 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -89.1 39.89 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.919 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.3 p -46.64 -34.48 2.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.165 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.9 t -95.58 136.96 35.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.865 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -112.9 -88.58 1.73 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.455 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 112.93 3.21 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.655 2.236 . . . . 0.0 112.34 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 73.8 p -116.54 153.14 32.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.851 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 91.0 p -95.26 156.31 16.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.465 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t 65.72 42.12 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 110.885 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.0 m -89.96 104.34 16.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.1 -89.89 0.59 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.498 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 t -173.14 139.85 0.84 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.4 t -38.61 -47.14 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.24 -157.62 9.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.491 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.54 148.74 51.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.791 0.329 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 11.2 mt -59.21 167.69 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -110.0 -49.34 3.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -79.12 113.17 17.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.466 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 13.6 mtp-105 -91.79 151.85 20.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.3 p -87.64 125.36 34.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.147 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.462 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 5.3 tp60 -106.01 126.53 52.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.942 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 39.9 m-85 -122.11 159.42 27.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.906 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.6 t -107.83 143.66 36.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.9 OUTLIER -34.74 -46.11 0.28 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -58.44 -51.75 68.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 m-20 -63.25 -51.91 64.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 36.3 mt -46.09 -52.2 12.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.02 -43.49 0.33 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.466 HG22 HG23 ' A' ' 45' ' ' VAL . 37.6 m -64.72 -50.25 67.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.135 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.455 HD22 ' CE3' ' A' ' 59' ' ' TRP . 10.8 mt -59.32 -57.8 11.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.96 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -48.5 -37.12 16.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -52.79 -52.16 57.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.452 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 35.5 m-85 -65.47 -33.86 76.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.893 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.651 ' CZ3' HG22 ' A' ' 32' ' ' THR . 9.2 t-105 -56.1 -28.57 58.31 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.883 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.95 -8.85 24.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -110.56 17.3 20.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.918 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 81.12 33.23 29.78 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -76.31 48.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.843 0.354 . . . . 0.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.651 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 50.7 p -114.79 37.14 3.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.132 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 51.9 m -142.94 152.95 42.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.851 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 8.7 mt -97.47 -30.86 12.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.24 169.57 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.503 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.3 m -56.16 -33.21 65.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.872 0.368 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 15.2 m -45.53 -38.06 2.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.174 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -107.9 -30.79 8.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -42.02 -47.13 4.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -47.36 -45.07 24.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 19.3 mmmt -71.68 -39.27 70.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.941 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.624 HG21 ' HG3' ' A' ' 57' ' ' ARG . 67.8 mt -61.46 -37.92 78.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.1 mt-10 -56.77 -20.83 24.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.49 -63.27 1.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.634 HG13 HG21 ' A' ' 56' ' ' VAL . 10.7 p -46.39 -23.47 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.17 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.47 -42.56 22.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.142 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.8 t -75.07 -22.43 58.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.164 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -81.21 -40.91 23.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.95 -8.72 57.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.924 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 66.24 42.65 3.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.878 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.6 m -128.43 145.66 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -53.6 134.12 41.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 17.7 p -39.9 -39.92 0.91 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -57.08 -42.33 80.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.565 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 42.2 mm -49.93 -36.91 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.103 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.634 HG21 HG13 ' A' ' 45' ' ' VAL . 93.7 t -86.3 -64.63 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.116 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.624 ' HG3' HG21 ' A' ' 42' ' ' ILE . 2.5 mtp-105 -39.63 -35.49 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 64.5 m -74.15 -38.69 63.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.177 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.473 ' N ' ' O ' ' A' ' 56' ' ' VAL . 68.7 t90 -61.85 -37.38 84.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.543 ' CD1' HD11 ' A' ' 42' ' ' ILE . 74.3 mt -62.25 -63.6 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.149 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.22 -43.5 25.98 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.494 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -65.63 -59.53 3.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.806 0.336 . . . . 0.0 110.862 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.418 ' O ' ' C ' ' A' ' 64' ' ' ARG . 14.6 tpp180 -45.06 -54.0 7.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 63' ' ' ARG . 44.6 mtp85 -36.86 -57.83 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 18.3 ttm180 -56.66 -55.42 34.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.864 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -41.8 -46.52 3.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.429 ' HD1' HD13 ' A' ' 72' ' ' ILE . 7.6 m-85 -63.54 -64.8 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -42.0 -48.05 4.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.0 mt -46.16 -42.5 14.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.945 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.405 ' HB3' HD12 ' A' ' 72' ' ' ILE . 6.7 tmm? -71.64 -25.84 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 135.6 -23.96 3.38 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.507 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.671 ' H ' HD12 ' A' ' 72' ' ' ILE . 5.1 mp -48.87 104.91 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.817 0.341 . . . . 0.0 111.116 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.443 ' CD ' ' O ' ' A' ' 73' ' ' GLU . 2.2 pp20? -78.99 45.53 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 5.5 p -49.01 -32.19 4.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.176 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 66.5 m -86.59 80.0 8.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -139.92 171.77 23.7 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.479 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -45.54 1.55 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.699 2.266 . . . . 0.0 112.345 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.6 m 48.08 43.3 18.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 73.2 m -93.39 147.17 23.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.867 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t 68.93 42.04 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -131.48 170.4 14.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.65 -167.42 12.28 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.6 p -116.74 169.81 9.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.891 0.376 . . . . 0.0 110.841 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.3 m -104.47 147.22 27.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.835 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.57 146.92 5.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.76 94.56 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 111.07 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 pp -130.26 153.27 48.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -115.68 93.82 4.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -147.98 140.76 24.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -103.67 89.2 3.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.8 m -67.88 92.78 0.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.177 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.7 mt-30 -82.69 149.48 27.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -83.94 133.63 34.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.935 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 72.2 m -74.41 150.78 39.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -38.36 -55.83 1.31 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -51.26 -52.18 47.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 20' ' ' LEU . 13.2 m-20 -59.71 -62.2 2.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.435 ' O ' ' C ' ' A' ' 21' ' ' ALA . 23.6 mt -36.69 -52.08 0.88 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.96 -54.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.097 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.76 HG22 HG23 ' A' ' 45' ' ' VAL . 88.0 m -56.63 -48.63 77.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.408 HD21 HG22 ' A' ' 56' ' ' VAL . 11.3 mt -59.52 -61.28 2.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mtmt -48.33 -34.54 10.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 31.1 tptt -52.46 -48.41 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -69.3 -34.74 75.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.663 ' CZ3' HG22 ' A' ' 32' ' ' THR . 4.9 t-105 -55.7 -28.04 53.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -11.13 38.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.87 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -108.87 19.22 19.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.81 34.78 26.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.494 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.8 ttp -78.89 46.74 0.7 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.898 0.38 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.663 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 56.9 p -114.1 37.95 3.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.3 m -138.44 152.11 48.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.837 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.2 mt -97.61 -25.63 15.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -52.75 173.58 0.31 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 12.6 p -61.01 -31.12 70.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.966 0.412 . . . . 0.0 110.915 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 28.0 m -46.46 -32.4 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 18.1 m -109.85 -33.8 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 52.3 ttt180 -38.05 -54.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -45.57 -43.84 12.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 21.6 mmmt -68.74 -48.55 63.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.515 HG21 ' HG3' ' A' ' 57' ' ' ARG . 32.2 mt -55.07 -35.59 35.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.125 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.24 -21.78 49.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.546 ' O ' HG22 ' A' ' 47' ' ' THR . . . -88.88 -62.03 1.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.76 HG23 HG22 ' A' ' 22' ' ' THR . 8.0 p -47.82 -26.91 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.174 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.43 -44.65 28.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.1 t -73.64 -21.47 60.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -77.13 -38.12 52.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.1 mt -87.73 -7.11 57.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.93 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 64.57 39.96 6.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 19.3 m -126.09 169.38 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -69.41 117.01 10.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 28.7 m -41.23 -48.06 3.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -42.14 -44.0 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 45.5 mt -51.75 -42.51 31.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG21 HG13 ' A' ' 45' ' ' VAL . 73.1 t -69.41 -58.13 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.515 ' HG3' HG21 ' A' ' 42' ' ' ILE . 20.4 mtp180 -45.58 -45.14 13.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.7 m -68.13 -35.35 77.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.149 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 49.6 t90 -64.13 -39.82 94.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.475 ' CD1' HD11 ' A' ' 42' ' ' ILE . 95.3 mt -57.85 -60.18 2.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -53.3 -41.58 62.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 25.1 m120 -56.11 -58.73 6.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.862 0.363 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 64' ' ' ARG . 15.5 ttm180 -48.41 -61.72 1.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 63' ' ' ARG . 57.6 mtp180 -37.09 -61.21 0.58 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 66' ' ' LYS . 5.6 ttm105 -57.84 -56.23 24.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.926 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 65' ' ' ARG . 21.8 mmtt -34.4 -57.77 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -53.94 -52.4 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.885 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.1 -47.4 68.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -50.87 -39.93 55.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 49.4 ttp -74.19 -25.51 59.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 139.68 -32.56 2.21 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.493 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 71.6 mt -75.13 92.0 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.789 0.328 . . . . 0.0 111.124 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.8 pp20? -73.85 124.18 25.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.874 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 6.0 p -135.39 140.2 45.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.6 p -126.61 -56.19 1.4 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.39 -161.45 9.27 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.525 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 1.77 4.15 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.334 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 51.6 p -109.05 136.18 48.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.0 p -106.59 166.85 10.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.515 -179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -114.9 177.18 4.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.877 0.37 . . . . 0.0 110.83 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 5' ' ' SER . 6.9 t -168.68 125.62 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.868 -179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -37.7 95.08 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.477 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.446 ' N ' ' O ' ' A' ' 3' ' ' SER . 23.6 m -63.42 133.98 54.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -47.08 113.34 0.65 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 -179.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.9 178.34 39.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -41.09 161.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.848 0.356 . . . . 0.0 111.123 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 9' ' ' LEU . 1.7 mm? -87.7 135.02 33.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.941 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -51.32 -53.98 30.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.434 ' OD1' ' C ' ' A' ' 11' ' ' ASP . 0.4 OUTLIER -123.38 160.84 25.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -102.28 170.48 8.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -146.82 141.32 26.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.135 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 41.2 tt0 -125.49 158.74 33.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -106.19 127.33 53.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -87.3 157.3 19.32 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.853 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -63.01 -58.92 5.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.56 -47.84 75.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.5 mt -52.68 -48.39 66.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.33 -55.91 0.51 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.084 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.807 HG22 HG23 ' A' ' 45' ' ' VAL . 88.5 m -53.23 -52.11 60.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.132 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' CD2' HG13 ' A' ' 56' ' ' VAL . 15.1 mt -61.39 -60.41 3.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.5 mtmt -45.12 -35.69 3.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.0 tptp -53.75 -51.93 61.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.902 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.543 ' CD1' ' HB3' ' A' ' 41' ' ' LYS . 27.3 m-85 -68.82 -32.51 72.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.589 ' CZ2' HG22 ' A' ' 32' ' ' THR . 18.3 t-105 -56.53 -26.1 53.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -68.25 -12.73 61.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 18.4 t-20 -106.04 22.21 16.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 77.66 33.21 43.36 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.458 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -76.41 48.96 0.56 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.869 0.366 . . . . 0.0 110.877 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.589 HG22 ' CZ2' ' A' ' 27' ' ' TRP . 69.5 p -105.48 -34.47 7.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 86.0 p -78.47 141.72 38.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.83 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 35' ' ' GLY . 5.9 mt -83.52 -28.59 28.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -35.25 152.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.463 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 11.5 t -51.13 -24.13 3.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.877 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 6.7 p -52.87 -32.29 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.402 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.0 m -105.9 -31.95 8.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.636 ' HA ' HD12 ' A' ' 42' ' ' ILE . 19.2 ttm180 -36.94 -43.32 0.45 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -45.27 -54.21 7.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.543 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 0.3 OUTLIER -62.12 -43.9 97.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.636 HD12 ' HA ' ' A' ' 39' ' ' ARG . 86.4 mt -53.67 -43.93 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -58.67 -15.33 11.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.913 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' O ' HG22 ' A' ' 47' ' ' THR . . . -94.46 -57.64 2.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.092 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.807 HG23 HG22 ' A' ' 22' ' ' THR . 11.9 p -54.69 -24.98 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.09 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.81 -42.51 24.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.2 t -76.21 -21.73 56.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.157 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -77.28 -37.55 52.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.2 mt -89.98 -4.69 57.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 48.6 m-20 62.63 41.15 9.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.9 m -124.23 176.16 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.31 120.68 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 29.6 m -39.43 -46.34 1.65 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -42.79 -45.83 4.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 72.4 mt -55.25 -40.63 57.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.103 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.474 HG13 ' CD2' ' A' ' 23' ' ' LEU . 71.1 t -73.79 -58.67 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.605 ' HG3' HG21 ' A' ' 42' ' ' ILE . 33.5 mtp180 -47.98 -38.01 15.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.2 m -73.2 -38.61 66.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.546 ' CZ2' ' HD2' ' A' ' 63' ' ' ARG . 46.3 t90 -61.03 -37.56 83.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.7 mt -59.62 -63.59 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.178 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.479 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -51.7 -48.38 50.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.49 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -58.91 -41.56 87.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.546 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 28.4 ttt180 -59.71 -55.94 28.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.479 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 29.6 mtm105 -39.35 -57.59 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 68' ' ' ARG . 7.8 ttp-105 -48.26 -57.29 6.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' ARG . 35.6 tttt -34.47 -49.92 0.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -59.82 -43.73 94.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 65' ' ' ARG . 39.9 mtt180 -66.2 -52.13 51.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.863 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 66' ' ' LYS . 60.1 mt -44.92 -39.74 5.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.635 ' CE ' HD11 ' A' ' 72' ' ' ILE . 19.5 ttp -75.4 -25.79 57.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.877 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 112.62 38.5 1.3 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.635 HD11 ' CE ' ' A' ' 70' ' ' MET . 28.5 mt -120.08 139.88 45.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.858 0.361 . . . . 0.0 111.099 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -93.57 83.93 4.58 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.55 ' O ' HG22 ' A' ' 74' ' ' VAL . 11.3 p -88.49 40.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.104 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 m -45.71 -63.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.53 83.35 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.492 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -179.22 2.79 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.328 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 85.7 p -157.46 138.46 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.861 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.6 t -56.4 116.67 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.966 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 t -113.51 84.55 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.878 0.371 . . . . 0.0 110.818 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -82.44 110.1 17.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.89 48.02 0.51 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 91.2 p -45.06 -49.92 11.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.372 . . . . 0.0 110.875 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.8 p -44.39 -41.23 6.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.829 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 42.47 79.11 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.33 78.09 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 mp -140.13 129.47 23.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.1 tp-100 -112.09 103.23 11.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.913 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -109.3 44.7 1.13 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -58.26 -22.41 52.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.864 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.9 t -54.15 -37.33 64.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.133 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -126.04 155.15 41.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.6 m-85 -110.88 147.02 35.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 48.1 t -76.23 147.24 38.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -38.72 -38.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.87 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -70.67 -51.13 29.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.866 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -56.99 -52.56 64.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 20.4 mt -48.7 -54.43 14.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.938 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.34 -43.47 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.074 179.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.413 HG22 HG23 ' A' ' 45' ' ' VAL . 57.1 m -67.41 -51.85 46.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.152 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.5 mt -55.46 -51.96 65.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.917 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -55.84 -45.65 78.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -46.95 -44.46 20.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.9 m-85 -72.59 -35.99 68.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.465 ' CD1' ' C ' ' A' ' 27' ' ' TRP . 2.7 t-105 -53.19 -32.33 47.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.912 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -57.47 -21.19 35.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -97.32 26.82 4.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.1 18.95 76.9 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.486 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.425 ' O ' ' N ' ' A' ' 33' ' ' SER . 4.2 ttp -56.39 -24.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.894 0.378 . . . . 0.0 110.876 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.487 ' HA ' HG23 ' A' ' 60' ' ' ILE . 4.3 t -42.51 -23.44 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.094 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.425 ' N ' ' O ' ' A' ' 31' ' ' MET . 1.3 t -79.54 155.83 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.704 HD21 ' O ' ' A' ' 57' ' ' ARG . 15.2 mt -107.38 -30.93 8.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.4 147.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.491 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 64.6 m -41.48 -42.93 2.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 3.7 p -39.49 -40.51 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.157 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.6 m -96.44 -25.29 15.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.801 ' HA ' HD12 ' A' ' 42' ' ' ILE . 24.3 ttm180 -43.81 -38.56 3.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.928 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.14 -52.66 64.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.87 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.9 mmmt -56.72 -43.44 80.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.899 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.801 HD12 ' HA ' ' A' ' 39' ' ' ARG . 40.6 mt -52.48 -37.3 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -57.92 -23.8 55.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.97 -61.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.097 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.487 HG12 ' HA ' ' A' ' 42' ' ' ILE . 11.8 p -49.3 -24.48 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.57 -45.77 20.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.058 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.55 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -71.97 -22.25 61.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.145 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -78.06 -36.35 48.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.5 mt -94.07 -7.58 42.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.909 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 19.2 m-80 62.34 44.6 7.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.8 m -127.93 143.59 40.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.642 ' N ' HD12 ' A' ' 55' ' ' ILE . 6.5 t70 -44.6 126.26 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 9.1 p -46.05 -40.55 10.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -56.03 -42.63 76.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.642 HD12 ' N ' ' A' ' 52' ' ' ASP . 31.1 mt -52.24 -41.57 34.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.14 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.6 t -71.76 -56.8 9.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.704 ' O ' HD21 ' A' ' 34' ' ' LEU . 40.6 mtp85 -48.3 -40.57 25.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 99.1 m -71.48 -38.14 71.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.129 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 57.3 t90 -63.26 -45.64 90.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.923 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.487 HG23 ' HA ' ' A' ' 32' ' ' THR . 99.1 mt -47.18 -64.92 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.476 ' HA2' ' NE ' ' A' ' 64' ' ' ARG . . . -55.69 -33.93 60.15 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.513 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -57.64 -52.75 64.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.826 0.346 . . . . 0.0 110.954 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -58.64 -43.11 89.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.476 ' NE ' ' HA2' ' A' ' 61' ' ' GLY . 59.2 mtm180 -40.65 -51.83 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.497 ' O ' ' N ' ' A' ' 67' ' ' TYR . 0.8 OUTLIER -65.69 -51.93 55.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.842 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' ARG . 2.1 mmmp? -35.84 -30.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.497 ' N ' ' O ' ' A' ' 65' ' ' ARG . 34.6 m-85 -84.21 -48.08 10.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' A' ' 65' ' ' ARG . 10.9 tpt180 -70.51 -56.15 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.916 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.746 ' C ' HD12 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -47.76 -32.1 5.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.421 ' HE1' HD11 ' A' ' 72' ' ' ILE . 6.9 tmm? -79.46 -26.06 41.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 114.74 36.51 1.26 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.486 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.421 HD11 ' HE1' ' A' ' 70' ' ' MET . 81.2 mt -125.8 148.66 30.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.817 0.341 . . . . 0.0 111.159 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -100.11 89.47 4.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.6 p -93.46 -25.73 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.127 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -72.76 -44.28 61.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 150.09 172.59 19.6 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 165.47 30.86 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.1 m -58.13 119.38 6.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 t -124.84 150.51 46.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.953 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m -125.0 160.02 29.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.872 0.368 . . . . 0.0 110.867 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.8 m -82.76 103.4 12.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.63 138.43 35.7 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 t -93.08 -54.03 3.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.3 t -71.29 -44.09 65.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.897 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.44 141.93 3.27 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.456 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' C ' HD12 ' A' ' 9' ' ' LEU . . . -86.4 148.28 25.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.744 0.306 . . . . 0.0 111.162 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.468 HD12 ' C ' ' A' ' 8' ' ' ALA . 8.1 mp -130.31 157.75 41.68 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.936 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -174.67 133.35 0.36 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -96.71 98.49 10.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.843 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -96.2 101.45 13.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.9 p -135.16 137.47 42.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.165 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -113.3 154.61 26.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -114.02 136.6 52.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.446 ' OG ' ' CZ ' ' A' ' 18' ' ' ARG . 13.3 t -94.36 149.34 21.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -39.48 -46.16 1.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' CZ ' ' OG ' ' A' ' 16' ' ' SER . 10.7 ptt-85 -56.12 -47.63 77.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.855 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.427 ' O ' ' C ' ' A' ' 20' ' ' LEU . 2.6 m-20 -63.34 -63.68 1.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' ASP . 30.5 mt -35.6 -45.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.81 -48.61 1.55 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.122 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.607 HG22 HG23 ' A' ' 45' ' ' VAL . 47.7 m -59.46 -58.6 7.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 -179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.625 HD21 HG13 ' A' ' 56' ' ' VAL . 11.7 mt -55.23 -62.07 1.91 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -43.04 -38.06 2.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptt -51.79 -51.6 55.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -65.69 -33.4 75.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.936 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.459 ' CH2' HG22 ' A' ' 32' ' ' THR . 34.9 t-105 -54.84 -30.91 58.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -62.51 -15.99 53.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.0 t30 -105.13 25.62 10.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.917 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 71.45 39.36 61.43 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.499 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.0 ttp -78.15 46.28 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.369 . . . . 0.0 110.891 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.459 HG22 ' CH2' ' A' ' 27' ' ' TRP . 72.1 p -94.48 -38.11 11.08 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.059 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 t -65.38 156.02 33.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.544 HD21 ' O ' ' A' ' 57' ' ' ARG . 8.2 mt -106.14 -34.62 7.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -49.99 177.45 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.498 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 37' ' ' VAL . 3.3 m -49.58 -42.42 44.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.927 0.394 . . . . 0.0 110.837 -179.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 36' ' ' SER . 16.4 m -36.12 -38.2 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 3.3 m -109.65 -35.85 6.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.917 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HA ' HD12 ' A' ' 42' ' ' ILE . 12.0 ttt180 -37.17 -45.48 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -46.03 -45.58 16.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -74.71 -39.15 62.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.906 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.535 HD12 ' HA ' ' A' ' 39' ' ' ARG . 52.7 mt -59.62 -36.97 68.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -56.6 -25.17 52.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.567 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.67 -63.3 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.085 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.607 HG23 HG22 ' A' ' 22' ' ' THR . 9.4 p -47.67 -24.52 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.6 -43.31 26.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.124 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.0 t -75.07 -22.37 58.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -78.04 -40.85 37.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.909 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 87.7 mt -87.05 -4.67 59.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.948 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.5 m120 61.57 43.89 9.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.9 m -129.46 147.69 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -53.62 130.52 36.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 12.5 p -38.1 -39.54 0.41 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -55.64 -48.9 74.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 43.5 mm -42.38 -44.11 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.625 HG13 HD21 ' A' ' 23' ' ' LEU . 70.5 t -77.9 -62.22 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.112 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.544 ' O ' HD21 ' A' ' 34' ' ' LEU . 65.6 mtm180 -37.96 -42.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.901 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.6 m -65.6 -42.07 92.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 76.0 t90 -56.7 -43.31 80.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.7 mt -56.13 -61.49 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.135 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -60.09 -49.48 78.14 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.473 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -50.31 -48.94 55.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.771 0.32 . . . . 0.0 110.845 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 14.5 ttm180 -63.54 -44.78 93.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 76.9 mtp180 -58.76 -45.64 89.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.817 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -69.92 -43.59 71.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.86 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -53.67 -30.09 41.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -89.8 -50.12 6.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 71' ' ' GLY . 63.7 ttt-85 -54.26 -44.31 71.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 66' ' ' LYS . 30.7 mt -42.31 -53.39 4.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.867 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.486 ' CE ' HD11 ' A' ' 72' ' ' ILE . 38.8 ttp -67.08 -24.31 65.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 112.62 51.76 0.53 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.516 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.486 HD11 ' CE ' ' A' ' 70' ' ' MET . 15.9 mm -116.37 146.98 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.803 0.335 . . . . 0.0 111.118 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -109.94 90.1 3.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.415 HG23 ' N ' ' A' ' 75' ' ' SER . 35.4 m -47.37 -40.24 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.168 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.415 ' N ' HG23 ' A' ' 74' ' ' VAL . 25.6 t -103.98 -48.37 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.827 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 68.63 -158.18 52.77 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -38.18 8.12 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.653 2.236 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 37.2 p -68.78 157.82 35.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.797 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 81.2 p -125.05 172.7 9.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.502 179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m 61.91 42.78 9.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.892 0.377 . . . . 0.0 110.881 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.3 m -107.96 89.79 3.1 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.68 -177.89 0.62 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.47 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 6' ' ' SER . 10.7 t -76.33 154.36 35.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.84 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 5' ' ' SER . 16.9 t -37.51 -54.51 1.13 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 -179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.58 -60.52 0.35 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.466 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -67.49 119.75 12.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.844 0.354 . . . . 0.0 111.121 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.559 ' C ' HD23 ' A' ' 9' ' ' LEU . 4.0 tt -43.26 151.2 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.422 ' N ' HD23 ' A' ' 9' ' ' LEU . 46.5 tt0 -117.81 -58.52 2.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.481 ' O ' HD21 ' A' ' 9' ' ' LEU . 18.6 p30 -83.94 142.65 30.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.2 mtm180 -106.56 81.98 1.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.0 p -118.06 86.73 2.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.104 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -122.24 142.68 50.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -90.28 163.2 14.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.4 t -112.1 150.1 31.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.416 ' C ' ' O ' ' A' ' 16' ' ' SER . 5.2 m-20 -36.74 -50.74 0.85 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.844 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -55.39 -52.11 64.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -60.65 -53.91 51.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 35.3 mt -50.85 -51.0 55.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.4 -49.77 1.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.117 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 72.1 m -58.64 -47.39 84.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.13 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD23 HG21 ' A' ' 45' ' ' VAL . 18.0 mt -59.29 -57.29 13.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.944 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -49.78 -39.16 37.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 tptp -52.79 -48.57 66.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.845 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.4 m-85 -68.93 -37.13 78.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.442 ' CD1' ' C ' ' A' ' 27' ' ' TRP . 3.7 t-105 -50.91 -34.98 30.7 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.81 -26.88 26.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.443 ' CG ' ' O ' ' A' ' 29' ' ' ASN . 25.2 t-20 -93.36 31.08 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 65.4 23.9 70.45 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 2.9 ttp -58.94 -28.59 66.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.928 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.571 ' HA ' HG23 ' A' ' 60' ' ' ILE . 9.3 t -42.46 -28.51 0.22 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.115 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.6 m -87.66 146.37 25.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.835 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.445 ' O ' ' C ' ' A' ' 35' ' ' GLY . 6.9 mt -93.53 -74.12 0.54 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.4 -129.94 0.53 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.522 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 29.9 m -123.9 -39.83 2.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.869 0.366 . . . . 0.0 110.828 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.8 p -54.19 -39.48 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.5 m -87.07 -35.48 18.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.715 ' HA ' HD12 ' A' ' 42' ' ' ILE . 68.9 ttt180 -38.8 -48.36 1.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.44 -49.91 75.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -51.56 -48.2 63.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.906 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.931 HG21 ' HG3' ' A' ' 57' ' ' ARG . 17.3 mt -53.15 -36.58 25.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.179 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -56.68 -25.1 53.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.909 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.605 ' O ' HG22 ' A' ' 47' ' ' THR . . . -85.21 -64.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.497 HG13 HG21 ' A' ' 56' ' ' VAL . 10.8 p -46.23 -27.38 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.27 -44.33 46.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.148 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.1 t -74.09 -22.59 59.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.159 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -77.63 -39.25 45.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 66.8 mt -88.79 -1.37 58.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.944 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 89.3 m-20 63.18 40.7 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 27.4 m -133.17 143.09 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.077 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -53.11 136.78 35.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 65.6 m -42.52 -45.88 4.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -47.43 -41.22 19.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 42.5 mm -52.13 -40.53 30.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.14 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 45' ' ' VAL . 72.7 t -85.21 -63.87 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.149 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.931 ' HG3' HG21 ' A' ' 42' ' ' ILE . 43.2 mtp180 -37.33 -38.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.855 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 48.8 m -73.53 -42.95 61.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.452 ' N ' ' O ' ' A' ' 56' ' ' VAL . 27.5 t90 -59.94 -38.82 83.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.571 HG23 ' HA ' ' A' ' 32' ' ' THR . 81.5 mt -54.09 -64.59 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.123 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.08 -44.34 50.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.463 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -52.1 -43.84 64.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.862 0.363 . . . . 0.0 110.878 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -64.03 -45.51 88.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 54.5 mtp180 -46.1 -46.34 16.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 69' ' ' LEU . 13.9 tpt180 -67.12 -27.33 67.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.5 tptt -74.82 -39.09 61.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.9 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.537 ' CD2' ' CD1' ' A' ' 72' ' ' ILE . 11.3 m-85 -93.84 -61.22 1.58 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.2 tmt_? -45.17 -26.32 0.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 65' ' ' ARG . 7.4 tp -65.12 -45.45 85.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.544 ' HE2' HD11 ' A' ' 72' ' ' ILE . 40.7 ttp -79.08 -26.23 43.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.23 36.49 4.39 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.472 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.58 ' O ' HG22 ' A' ' 72' ' ' ILE . 58.2 mt -75.33 60.39 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 72' ' ' ILE . 17.9 mt-10 34.14 45.31 0.12 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.52 ' O ' HG22 ' A' ' 74' ' ' VAL . 10.1 p -132.48 41.62 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.145 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 92.7 p -122.23 80.73 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.856 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -110.27 83.13 0.32 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.492 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -17.44 37.66 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.68 2.253 . . . . 0.0 112.327 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 15.7 m -64.8 -59.89 3.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.832 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 80' ' ' GLY . 79.5 p -83.02 110.35 17.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.413 ' C ' ' O ' ' A' ' 79' ' ' SER . . . . . . . . 0 N--CA 1.452 -0.259 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.448 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t -108.9 118.12 35.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.828 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -65.08 157.7 27.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -65.14 171.51 23.46 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.479 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -112.52 127.32 56.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.895 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 t -98.61 -61.3 1.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.885 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.2 115.93 0.73 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.44 173.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 0.0 111.09 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.411 ' N ' HD12 ' A' ' 9' ' ' LEU . 5.2 mp -112.99 -54.48 2.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.42 ' CD ' ' O ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER 69.34 41.5 1.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.34 176.49 6.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -90.83 93.36 9.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 71.8 p -119.17 96.08 5.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -84.29 156.57 21.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -100.02 156.89 16.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 t -106.42 157.64 17.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.843 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -43.97 -45.35 7.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.862 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mmt180 -63.91 -48.25 77.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -58.59 -54.96 41.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 23' ' ' LEU . 34.8 mt -52.48 -49.67 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.913 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.88 -36.51 0.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.073 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.71 HG22 HG23 ' A' ' 45' ' ' VAL . 31.3 m -72.04 -39.7 68.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.143 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.694 HD22 ' CE3' ' A' ' 59' ' ' TRP . 12.1 mt -64.17 -66.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 ptmm? -45.02 -43.02 8.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 11.9 tptm -42.64 -49.18 5.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.03 -35.81 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CH2' HG22 ' A' ' 32' ' ' THR . 4.8 t-105 -54.84 -29.48 55.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -65.6 -7.09 13.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 31.1 m-20 -112.44 13.92 20.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.03 32.68 12.04 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.3 ttp -79.67 44.23 0.62 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.874 0.368 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' CH2' ' A' ' 27' ' ' TRP . 58.5 p -111.75 53.69 0.71 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.71 159.82 43.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.486 ' CD2' ' HG2' ' A' ' 57' ' ' ARG . 9.5 mt -108.08 -26.39 10.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -62.03 -179.26 3.64 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 36.8 m -57.27 -30.5 64.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.937 0.399 . . . . 0.0 110.869 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 4.7 m -47.75 -37.04 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.089 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 8.0 m -108.56 -37.51 5.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 17.3 ttp180 -39.65 -50.38 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 29.7 mt-10 -46.07 -47.82 17.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.9 mmpt? -71.75 -44.6 63.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.663 HD11 HD12 ' A' ' 60' ' ' ILE . 56.9 mt -51.18 -43.09 26.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.1 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -52.99 -23.94 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.25 -62.95 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.084 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.71 HG23 HG22 ' A' ' 22' ' ' THR . 9.8 p -48.86 -27.96 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.109 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.82 -45.56 24.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.136 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.0 t -71.63 -21.24 61.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.181 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -82.15 -33.68 29.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.885 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.707 HD11 ' HB ' ' A' ' 22' ' ' THR . 80.0 mt -95.62 -2.13 48.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 62.1 t30 60.63 44.38 11.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -125.79 153.83 34.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.149 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -57.85 123.92 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.1 p -45.14 -28.76 0.79 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.852 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 69.9 mt-10 -66.19 -43.2 87.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 55.1 mt -50.91 -40.47 20.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG21 HG13 ' A' ' 45' ' ' VAL . 96.8 t -72.77 -55.85 11.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.09 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.486 ' HG2' ' CD2' ' A' ' 34' ' ' LEU . 7.7 ttp180 -44.88 -43.65 9.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.865 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.1 m -70.32 -40.54 74.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.694 ' CE3' HD22 ' A' ' 23' ' ' LEU . 80.2 t90 -55.09 -40.16 70.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.663 HD12 HD11 ' A' ' 42' ' ' ILE . 95.2 mt -62.77 -62.27 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.64 -40.46 55.63 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.466 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -58.5 -50.98 71.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.34 . . . . 0.0 110.855 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -54.44 -53.72 50.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -50.6 -50.25 54.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.3 tmt_? -60.62 -47.1 87.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -50.02 -58.76 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.568 ' HD1' HD12 ' A' ' 72' ' ' ILE . 18.0 m-85 -50.62 -60.31 3.17 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.2 tpt85 -46.27 -58.52 3.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.877 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -54.48 -41.89 70.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 10.7 ttp -67.41 -25.8 66.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 141.46 -35.78 1.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.514 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.568 HD12 ' HD1' ' A' ' 67' ' ' TYR . 84.3 mt -76.44 95.3 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.775 0.321 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -69.2 136.22 51.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.8 p -158.89 141.44 5.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.11 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.9 t -152.97 155.76 37.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -80.14 146.73 28.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 86.11 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.688 2.259 . . . . 0.0 112.361 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.4 t -123.23 128.05 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.7 m -153.39 129.9 10.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.499 179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.5 p -155.28 177.61 11.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.916 0.389 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.1 p -85.78 156.49 20.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.16 154.79 12.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.503 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.7 p -91.26 126.59 36.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.945 0.403 . . . . 0.0 110.86 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.6 m -108.1 129.91 55.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.4 -43.95 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -111.95 41.33 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 111.1 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 32.2 tp -52.32 -75.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.89 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.7 tp60 -175.42 128.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -65.72 104.3 1.03 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 30.2 tpt180 -156.5 128.89 7.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.402 HG23 HG23 ' A' ' 55' ' ' ILE . 87.9 m -105.77 87.52 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -123.71 138.53 54.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 21.5 m-85 -112.05 145.68 39.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.88 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 69.7 m -102.94 156.19 17.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.861 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.4 -55.43 4.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.834 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.8 -48.03 73.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.847 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.693 ' OD1' HD22 ' A' ' 49' ' ' LEU . 8.3 m-20 -58.32 -65.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' ASP . 14.7 mt -34.42 -51.8 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.85 -51.18 0.5 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.091 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.981 HG22 HG23 ' A' ' 45' ' ' VAL . 59.9 m -57.17 -54.28 48.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.143 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.77 HD21 HG13 ' A' ' 56' ' ' VAL . 13.2 mt -60.42 -58.92 6.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -51.05 -33.42 25.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tppp? -57.84 -46.4 84.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 31.0 m-85 -68.12 -32.03 72.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.606 ' CH2' HG22 ' A' ' 32' ' ' THR . 8.2 t-105 -57.0 -27.38 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -66.72 -8.0 24.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.845 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -111.79 18.91 18.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 82.15 30.87 33.09 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.409 ' O ' ' HE3' ' A' ' 31' ' ' MET . 4.5 ttp -77.36 48.25 0.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.851 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.606 HG22 ' CH2' ' A' ' 27' ' ' TRP . 64.2 p -106.8 -31.68 8.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.147 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.2 m -77.73 140.01 39.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 5.6 mt -83.33 -31.79 26.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.939 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -38.55 158.72 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.474 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.422 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 3.2 m -47.44 -39.35 15.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.926 0.393 . . . . 0.0 110.866 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 36' ' ' SER . 4.3 p -37.13 -34.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' LYS . 70.9 m -106.72 -35.12 7.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.688 ' HA ' HD12 ' A' ' 42' ' ' ILE . 49.0 ttt180 -37.46 -39.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.84 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -58.52 -45.12 89.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' N ' ' O ' ' A' ' 38' ' ' CYS . 20.8 mmmt -66.0 -45.65 80.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.688 HD12 ' HA ' ' A' ' 39' ' ' ARG . 25.6 mt -51.32 -44.99 32.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.135 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -51.0 -22.05 2.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.577 ' O ' HG22 ' A' ' 47' ' ' THR . . . -87.38 -64.86 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.981 HG23 HG22 ' A' ' 22' ' ' THR . 8.1 p -48.54 -27.18 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.169 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.56 -45.53 30.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.086 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.577 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.6 t -72.15 -22.14 61.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.172 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -77.64 -31.7 52.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.912 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.693 HD22 ' OD1' ' A' ' 19' ' ' ASP . 86.2 mt -96.06 -5.8 40.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 60.48 42.7 14.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.0 m -124.91 169.4 16.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.175 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -71.34 121.11 17.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 6.5 m -39.93 -46.04 1.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -44.85 -53.02 7.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.499 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 73.8 mt -47.47 -39.55 6.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.088 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.77 HG13 HD21 ' A' ' 23' ' ' LEU . 74.9 t -73.33 -59.93 2.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.556 ' CG ' HD13 ' A' ' 42' ' ' ILE . 38.4 mtp85 -48.97 -36.95 18.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.821 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.8 m -73.28 -37.94 66.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.143 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 40.1 t90 -59.84 -34.82 73.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.943 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.21 -60.43 2.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.12 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.12 -41.28 45.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.458 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.3 m-20 -61.06 -49.02 79.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.827 0.346 . . . . 0.0 110.922 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.0 ttm-85 -53.63 -58.81 5.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.863 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -42.37 -43.92 3.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.593 ' O ' HD23 ' A' ' 69' ' ' LEU . 38.3 ttp85 -62.54 -58.42 7.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 44.8 mttt -38.02 -44.35 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -66.79 -57.27 7.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.909 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -48.15 -39.15 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.593 HD23 ' O ' ' A' ' 65' ' ' ARG . 4.4 mm? -55.62 -44.01 76.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.962 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.813 ' CE ' HD11 ' A' ' 72' ' ' ILE . 20.8 ttp -73.47 -25.88 60.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.35 34.7 2.25 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.813 HD11 ' CE ' ' A' ' 70' ' ' MET . 28.6 mt -108.85 154.74 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.817 0.342 . . . . 0.0 111.145 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 72' ' ' ILE . 10.5 pt-20 -119.05 140.08 50.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.843 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.413 ' O ' ' C ' ' A' ' 75' ' ' SER . 32.8 m -115.7 152.77 17.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.174 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 74' ' ' VAL . 77.2 p -37.41 108.66 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 -179.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -112.97 146.21 18.36 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 171.91 13.61 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.653 2.235 . . . . 0.0 112.354 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 67.4 p -98.47 107.05 19.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 92.7 p -82.14 86.27 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.483 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 t -82.46 144.06 30.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.7 t -48.67 99.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.8 141.02 2.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.9 p -102.42 117.75 35.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.88 0.372 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -46.02 -58.79 3.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.72 -121.2 0.99 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -93.63 141.17 28.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.803 0.335 . . . . 0.0 111.089 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp -87.25 166.11 15.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -126.62 -61.28 1.2 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -146.78 134.49 21.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 46.3 mtm180 -114.93 173.44 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.3 m -98.93 109.81 22.51 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.167 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -96.56 153.0 18.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -83.87 140.54 31.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.4 m -73.68 140.69 46.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -39.31 -48.88 1.92 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -58.59 -53.41 58.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.6 m-20 -54.38 -51.37 65.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.876 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 21.6 mt -50.3 -52.71 34.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.39 -47.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.084 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 88.5 m -62.58 -55.41 27.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.177 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.605 HD21 HG13 ' A' ' 56' ' ' VAL . 11.3 mt -53.24 -60.87 2.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.957 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -48.4 -37.51 17.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.891 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 tttm -54.56 -46.02 73.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.865 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 27.1 m-85 -69.17 -36.55 77.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.557 ' CH2' ' HB ' ' A' ' 32' ' ' THR . 5.0 t-105 -52.03 -32.68 35.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.34 -25.75 25.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 -94.33 27.91 2.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.86 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.44 18.65 73.74 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.412 ' CE ' HG12 ' A' ' 60' ' ' ILE . 3.5 ttp -54.46 -22.72 13.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.875 0.369 . . . . 0.0 110.902 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.557 ' HB ' ' CH2' ' A' ' 27' ' ' TRP . 3.1 t -43.53 -28.79 0.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.8 m -68.92 145.53 53.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.57 HD21 ' O ' ' A' ' 57' ' ' ARG . 12.9 mt -97.84 -37.62 9.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.34 150.8 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.501 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 37' ' ' VAL . 15.6 t -41.5 -46.13 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.901 0.381 . . . . 0.0 110.848 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 36' ' ' SER . 15.4 m -34.09 -38.04 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 36' ' ' SER . 2.1 m -97.84 -34.43 10.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.814 ' HA ' HD12 ' A' ' 42' ' ' ILE . 35.6 ttp85 -38.85 -39.47 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -56.57 -50.11 72.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -61.51 -45.01 96.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.814 HD12 ' HA ' ' A' ' 39' ' ' ARG . 52.0 mt -51.02 -41.95 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.145 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -54.0 -26.35 25.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.544 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.31 -61.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.117 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 42' ' ' ILE . 9.8 p -51.55 -23.95 3.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.91 -44.35 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.544 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -72.1 -22.12 61.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -77.79 -39.74 42.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 84.6 mt -88.37 -5.38 58.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.3 t30 66.22 39.52 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.3 m -127.06 140.18 49.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.099 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -48.42 129.99 16.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.0 m -42.25 -53.15 4.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -41.82 -45.14 3.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.8 mt -49.95 -40.05 16.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.145 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.605 HG13 HD21 ' A' ' 23' ' ' LEU . 89.9 t -77.83 -60.81 2.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.124 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.57 ' O ' HD21 ' A' ' 34' ' ' LEU . 1.6 ttt-85 -44.3 -36.71 2.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 55.4 m -73.92 -43.76 57.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 33.2 t90 -59.74 -39.52 85.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.94 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.512 HG23 ' HA ' ' A' ' 32' ' ' THR . 90.1 mt -51.45 -63.72 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.15 -43.13 56.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.9 m-20 -45.61 -44.3 12.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.806 0.336 . . . . 0.0 110.845 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.9 tpp180 -63.66 -55.7 21.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.445 ' NE ' ' OG1' ' A' ' 32' ' ' THR . 9.9 mtt-85 -44.05 -43.92 7.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.871 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.6 -41.33 88.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 38.7 mttm -62.43 -54.25 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -50.81 -52.99 35.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 71' ' ' GLY . 8.6 tpt180 -56.64 -49.91 73.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.8 mt -41.38 -37.84 1.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 53.4 ttp -86.41 -25.49 25.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.933 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 136.66 -27.32 2.96 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.483 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 81.3 mt -67.18 100.06 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 0.0 111.141 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.408 ' HB3' ' CD ' ' A' ' 68' ' ' ARG . 7.6 pt-20 -94.97 76.55 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 19.2 m -53.11 138.54 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 12.6 t -171.99 115.49 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -59.6 142.89 46.88 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 95.57 0.55 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.697 2.265 . . . . 0.0 112.36 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.3 p -66.45 -46.51 76.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 64.8 p -112.07 86.76 2.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.2 m -93.45 149.07 21.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.856 0.36 . . . . 0.0 110.826 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m 45.55 42.36 7.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.59 63.75 0.59 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' C ' ' A' ' 6' ' ' SER . 27.1 t -113.73 143.64 44.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.879 0.371 . . . . 0.0 110.82 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 5' ' ' SER . 67.2 m -36.47 146.37 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.31 130.52 3.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.456 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -83.04 45.61 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.804 0.335 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -78.05 153.23 32.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -154.07 142.61 20.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -90.65 113.87 26.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.8 mmp_? -118.5 -52.54 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.6 p -103.2 107.09 17.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.104 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pp0? -106.81 155.14 20.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 -120.44 150.7 40.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 17' ' ' ASP . 74.3 m -110.49 155.36 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.404 ' C ' ' O ' ' A' ' 16' ' ' SER . 23.5 m-20 -37.58 -43.78 0.63 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.893 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.5 mmt85 -60.82 -55.53 31.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.866 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -61.02 -56.37 21.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.4 mt -41.97 -51.27 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.945 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -36.04 -52.35 0.76 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.16 179.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.447 HG22 HG23 ' A' ' 45' ' ' VAL . 41.5 m -56.03 -50.26 71.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.6 HD23 HG21 ' A' ' 45' ' ' VAL . 16.5 mt -59.92 -62.17 2.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 45.4 mtpt -44.83 -33.99 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -54.9 -52.37 63.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.561 ' CD2' ' HB ' ' A' ' 45' ' ' VAL . 33.9 m-85 -66.02 -33.54 76.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.519 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 6.8 t-105 -55.65 -30.36 60.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.79 -11.23 34.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.87 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 29' ' ' ASN . 10.9 t-20 -107.26 21.36 17.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.91 30.83 45.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.503 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.6 ttp -75.96 48.89 0.51 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.457 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 39.7 p -114.95 44.31 1.81 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.3 t -150.54 155.77 40.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.439 HD21 ' O ' ' A' ' 57' ' ' ARG . 9.6 mt -99.35 -34.07 10.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.906 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.41 171.88 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.489 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.8 p -56.54 -34.94 67.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.88 0.372 . . . . 0.0 110.819 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 12.5 p -44.39 -33.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.155 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 11.9 m -109.9 -31.73 7.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.57 ' HA ' HD12 ' A' ' 42' ' ' ILE . 41.1 ttp180 -42.07 -51.18 4.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -39.63 -44.14 1.45 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.915 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.423 ' HA ' ' NZ ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -76.03 -42.81 46.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.853 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.731 HG21 ' HG3' ' A' ' 57' ' ' ARG . 60.2 mt -55.7 -39.62 56.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -59.0 -16.16 16.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.838 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.545 ' O ' HG22 ' A' ' 47' ' ' THR . . . -94.01 -61.07 1.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.073 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.6 HG21 HD23 ' A' ' 23' ' ' LEU . 12.0 p -49.25 -26.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.08 -44.2 26.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.0 t -73.91 -22.24 59.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.138 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -79.04 -41.69 28.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.1 mt -87.56 -13.53 42.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 67.18 44.26 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 26.9 m -126.23 147.91 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.109 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.93 120.45 3.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 8.3 p -40.01 -36.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -58.05 -45.22 87.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 86.0 mt -49.76 -38.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.05 -62.07 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.731 ' HG3' HG21 ' A' ' 42' ' ' ILE . 33.7 mtp85 -43.55 -42.98 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.5 m -70.4 -38.22 74.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.194 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.5 t90 -58.33 -43.08 88.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 74.1 mt -55.64 -62.24 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -51.48 -33.9 33.67 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.468 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -67.37 -66.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.338 . . . . 0.0 110.917 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 27' ' ' TRP . 16.3 ttt85 -39.09 -46.96 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt-85 -48.71 -57.52 6.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 66' ' ' LYS . 4.5 ttt180 -66.97 -50.09 63.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 65' ' ' ARG . 79.7 mttt -35.47 -45.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -64.45 -60.67 2.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' GLY . 16.1 mmt85 -44.57 -47.22 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.6 mp -40.11 -45.29 1.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 37.1 ttp -84.83 -25.58 28.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.844 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 130.78 -19.3 5.01 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.454 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 62.5 mt -69.13 135.3 28.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 0.0 111.164 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -123.71 135.33 53.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.6 m -102.29 41.11 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.137 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 11.5 t -145.01 139.26 27.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.855 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 170.93 -94.99 0.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.506 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 88.19 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 43.6 m -141.54 166.08 25.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.2 t -88.69 -56.85 3.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.857 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.486 179.983 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -91.14 140.92 29.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.89 0.376 . . . . 0.0 110.807 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 t 49.68 42.05 22.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.84 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.14 119.66 3.96 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.487 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.1 p -132.46 164.52 26.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.863 0.363 . . . . 0.0 110.853 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 t -53.14 154.71 2.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.05 -116.45 1.86 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -147.08 156.88 43.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 111.054 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -117.43 138.38 51.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -154.91 157.31 37.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -49.15 166.95 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 27.6 mtm180 -43.03 107.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.91 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.0 p -81.54 156.73 25.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -106.06 137.21 44.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.975 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -79.75 129.39 34.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 t -87.09 158.1 19.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -42.32 -41.28 2.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.836 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 30.0 mmt180 -60.51 -58.45 8.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -57.61 -52.67 64.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.87 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 21' ' ' ALA . 25.5 mt -46.25 -51.32 14.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.79 -51.32 0.5 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.064 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.728 HG22 HG23 ' A' ' 45' ' ' VAL . 42.0 m -55.28 -56.72 16.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.114 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.727 HD23 HG21 ' A' ' 45' ' ' VAL . 24.0 mt -57.87 -62.76 1.57 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.957 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -42.74 -32.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.5 tttt -55.4 -55.86 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -62.97 -33.47 75.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.53 ' CH2' HG22 ' A' ' 32' ' ' THR . 7.4 t-105 -55.09 -28.94 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.89 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -62.87 -15.35 54.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -106.11 22.55 15.49 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.1 38.26 35.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.5 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.5 ttp -78.91 45.42 0.61 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.53 HG22 ' CH2' ' A' ' 27' ' ' TRP . 34.4 p -111.21 48.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.158 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -151.36 160.08 43.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.7 mt -102.25 -40.58 6.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -46.5 170.95 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 37' ' ' VAL . 6.2 m -44.06 -42.76 6.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.861 0.362 . . . . 0.0 110.875 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.427 ' C ' ' O ' ' A' ' 36' ' ' SER . 7.7 p -35.93 -38.47 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.411 ' O ' ' C ' ' A' ' 39' ' ' ARG . 29.2 m -109.42 -40.1 5.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HA ' HD12 ' A' ' 42' ' ' ILE . 2.7 tpp85 -37.12 -43.6 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -55.4 -52.54 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.864 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -65.63 -43.53 89.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.884 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.953 HD13 ' HG2' ' A' ' 57' ' ' ARG . 41.4 mt -53.5 -41.9 47.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.155 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -54.39 -23.81 17.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.853 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.559 ' O ' HG22 ' A' ' 47' ' ' THR . . . -86.31 -63.03 1.38 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.136 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.728 HG23 HG22 ' A' ' 22' ' ' THR . 7.7 p -48.92 -25.04 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.53 -46.53 19.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.128 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -70.34 -22.48 62.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -77.14 -37.72 53.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.908 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.7 mt -92.09 -11.44 35.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 62.28 44.78 7.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 55' ' ' ILE . 21.0 m -125.16 156.05 34.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.38 118.02 3.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.9 p -39.93 -38.26 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -54.7 -44.47 73.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.481 HD12 ' HB ' ' A' ' 51' ' ' VAL . 88.5 mt -50.16 -42.15 19.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.164 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.506 HG13 HD21 ' A' ' 23' ' ' LEU . 71.6 t -76.76 -66.57 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.953 ' HG2' HD13 ' A' ' 42' ' ' ILE . 42.3 mtp180 -40.43 -44.36 1.98 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 40.2 m -67.53 -39.54 85.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 61.7 t90 -56.24 -40.7 74.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.578 HG22 HH11 ' A' ' 64' ' ' ARG . 81.8 mt -59.27 -64.29 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.099 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.443 ' HA2' ' CZ ' ' A' ' 64' ' ' ARG . . . -52.47 -41.27 55.63 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.488 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -61.39 -55.99 25.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.837 0.351 . . . . 0.0 110.891 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' A' ' 64' ' ' ARG . 13.9 ttt180 -47.86 -63.59 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.578 HH11 HG22 ' A' ' 60' ' ' ILE . 83.9 mtm-85 -34.51 -42.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.846 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.494 ' O ' HD13 ' A' ' 69' ' ' LEU . 0.1 OUTLIER -71.26 -53.69 13.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 35.4 mttp -46.06 -39.87 9.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.438 ' CE1' ' HG2' ' A' ' 63' ' ' ARG . 8.5 m-85 -66.72 -53.96 27.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.9 tpt85 -48.73 -36.25 15.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.869 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 65' ' ' ARG . 9.5 mp -57.99 -49.19 77.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 41.7 mtm -67.35 -25.26 65.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 138.36 -28.07 2.7 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.461 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 68.2 mt -70.07 94.07 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.791 0.329 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -77.89 112.87 15.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 10.0 p -130.24 133.27 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.2 t -112.23 -54.99 2.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -147.4 -158.18 7.75 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -4.85 14.9 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.685 2.256 . . . . 0.0 112.332 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 86.7 p -64.9 109.48 2.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.83 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 26.1 t -171.32 148.79 2.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.878 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 t -121.42 -45.66 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.377 . . . . 0.0 110.862 -179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 t -121.0 82.01 1.86 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.83 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.03 164.09 36.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.526 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.3 m -129.74 151.91 49.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 110.856 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -69.43 176.93 3.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.03 -44.47 0.81 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.535 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.23 -59.01 2.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.823 0.344 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.579 ' O ' HD12 ' A' ' 9' ' ' LEU . 2.6 pp -106.28 124.38 49.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.961 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -80.28 -54.32 5.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -125.79 -59.97 1.32 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.2 ttm180 -163.14 146.44 10.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.85 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 52.3 p -108.9 121.51 45.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -78.38 130.05 35.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.0 m-85 -105.76 123.59 48.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 5.6 t -72.03 148.98 45.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.841 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -37.6 -56.0 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.902 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -51.22 -47.13 62.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -60.23 -51.9 67.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.42 ' O ' ' C ' ' A' ' 21' ' ' ALA . 37.1 mt -54.75 -49.24 71.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.72 -55.93 0.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.075 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.825 HG22 HG23 ' A' ' 45' ' ' VAL . 87.2 m -55.56 -48.63 74.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.148 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.429 HD22 ' CE3' ' A' ' 59' ' ' TRP . 13.8 mt -60.38 -62.58 1.76 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -46.09 -37.59 7.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -48.26 -54.18 14.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.5 m-85 -68.04 -33.89 75.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.622 ' CZ3' HG22 ' A' ' 32' ' ' THR . 8.0 t-105 -54.56 -31.77 57.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -61.62 -15.4 39.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -104.21 23.22 13.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 76.01 32.95 51.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.49 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 5.1 ttp -75.68 48.76 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.817 0.341 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.622 HG22 ' CZ3' ' A' ' 27' ' ' TRP . 50.8 p -116.36 40.46 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.149 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.4 m -140.19 145.1 37.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.518 HD21 ' O ' ' A' ' 57' ' ' ARG . 9.5 mt -89.81 -35.19 15.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.933 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -48.54 172.43 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.463 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.447 ' HA ' ' CB ' ' A' ' 39' ' ' ARG . 17.6 p -59.03 -35.84 73.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.882 0.372 . . . . 0.0 110.811 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.2 p -38.57 -36.55 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.089 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 39' ' ' ARG . 2.4 m -109.78 -33.47 6.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.447 ' CB ' ' HA ' ' A' ' 36' ' ' SER . 8.5 ttt-85 -37.29 -53.31 1.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -42.32 -43.96 3.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -71.35 -44.18 65.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.883 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.446 HG23 ' HB ' ' A' ' 56' ' ' VAL . 95.4 mt -55.73 -37.43 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.111 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -55.7 -26.49 45.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.595 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.57 -63.96 1.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.107 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.825 HG23 HG22 ' A' ' 22' ' ' THR . 7.8 p -47.49 -27.21 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.134 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.425 ' HB1' ' O ' ' A' ' 51' ' ' VAL . . . -75.24 -45.19 41.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.595 HG22 ' O ' ' A' ' 44' ' ' ALA . 6.2 t -73.34 -22.51 60.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.142 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.9 tp10 -76.67 -40.02 50.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.4 mt -89.22 -4.19 58.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.956 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.1 m-20 68.84 36.84 2.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.864 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.425 ' O ' ' HB1' ' A' ' 46' ' ' ALA . 34.6 m -124.38 150.94 29.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.448 ' O ' ' C ' ' A' ' 53' ' ' CYS . 31.1 t0 -63.99 133.08 52.48 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' ASP . 62.4 m -34.42 -49.3 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.43 ' O ' ' C ' ' A' ' 55' ' ' ILE . 0.1 OUTLIER -43.73 -58.62 2.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 54' ' ' GLU . 49.8 mm -35.39 -37.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.125 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.551 HG21 HG13 ' A' ' 45' ' ' VAL . 90.4 t -88.2 -61.42 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.165 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.518 ' O ' HD21 ' A' ' 34' ' ' LEU . 1.2 ttt-85 -38.83 -41.07 0.7 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 86.6 m -75.74 -43.87 44.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.122 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.447 ' CZ2' ' HG3' ' A' ' 63' ' ' ARG . 47.2 t90 -54.66 -38.08 66.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.876 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.428 ' CD1' HD11 ' A' ' 42' ' ' ILE . 86.6 mt -60.41 -61.29 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.03 -42.71 31.0 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.514 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -63.12 -44.09 96.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.834 0.35 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HG3' ' CZ2' ' A' ' 59' ' ' TRP . 9.8 mmp_? -61.51 -54.94 36.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 63' ' ' ARG . 48.4 mtp180 -36.41 -54.79 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.832 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.555 ' O ' HD23 ' A' ' 69' ' ' LEU . 31.2 ttp180 -60.18 -57.13 14.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.89 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' A' ' 65' ' ' ARG . 65.1 tttt -37.6 -47.67 0.96 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 61.2 m-85 -67.06 -42.72 84.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 65' ' ' ARG . 4.9 tpp85 -59.46 -42.58 92.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.555 HD23 ' O ' ' A' ' 65' ' ' ARG . 4.5 mm? -40.37 -52.38 2.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.2 mtm -76.06 -26.11 56.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 100.39 42.87 2.46 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 49.6 mm -80.72 140.98 15.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.785 0.326 . . . . 0.0 111.129 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -77.3 87.51 3.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 7.5 p -115.86 -37.28 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.093 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.0 p -56.74 -44.97 82.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.878 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 142.09 158.96 7.74 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 146.44 60.34 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.384 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.0 p -163.27 131.39 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.85 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.5 t -61.41 155.84 20.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.891 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.505 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -151.63 174.52 13.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 0.0 110.89 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 m -93.55 168.56 10.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -125.22 -117.73 2.23 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.465 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.3 p -163.53 110.07 1.13 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 p -123.4 157.32 33.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.06 130.25 2.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.17 65.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.801 0.334 . . . . 0.0 111.117 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -101.81 128.36 48.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.7 tt0 -48.2 98.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.894 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.42 ' OD1' ' NE ' ' A' ' 12' ' ' ARG . 23.8 t0 -158.38 175.17 14.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.42 ' NE ' ' OD1' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -96.6 173.03 7.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 48.4 p -109.02 93.77 4.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 59.1 mt-30 -83.86 114.86 21.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -95.21 161.28 14.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 17' ' ' ASP . 50.9 m -113.12 149.11 34.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.83 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 16' ' ' SER . 27.6 t70 -36.55 -43.43 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.909 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.2 tpt180 -61.37 -60.59 3.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -53.62 -47.61 70.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 21' ' ' ALA . 44.9 mt -58.14 -52.05 67.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.954 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -35.71 -46.52 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.093 179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.568 HG22 HG23 ' A' ' 45' ' ' VAL . 25.7 m -62.21 -49.33 76.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.127 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.441 HD22 ' CE3' ' A' ' 59' ' ' TRP . 14.6 mt -59.48 -60.76 3.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.932 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -45.67 -37.78 6.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 tptp -52.52 -54.55 31.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.577 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 91.0 m-85 -64.46 -36.65 84.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.951 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.534 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 2.8 t-105 -57.9 -25.24 60.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.866 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -80.24 -3.71 50.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -111.88 16.17 20.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 92.04 18.45 43.3 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.437 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.6 ttp -80.72 42.34 0.61 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.881 0.372 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.489 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 43.0 p -87.38 -40.84 14.06 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.1 t -95.97 172.64 7.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.857 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.501 HD22 ' HG2' ' A' ' 57' ' ' ARG . 8.1 mt -109.71 -68.59 0.91 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 34.88 -118.12 0.27 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.46 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 3.5 m -128.08 -48.7 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.879 0.371 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 7.3 p -49.12 -40.05 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.094 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 63.1 m -80.1 -38.79 30.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.844 ' HA ' HD12 ' A' ' 42' ' ' ILE . 19.5 ttp85 -39.47 -42.21 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.881 -179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -54.06 -51.53 63.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.896 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 38.5 mmtt -59.42 -46.69 88.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 39' ' ' ARG . 18.3 mt -52.26 -37.75 23.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -58.21 -26.62 63.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' O ' HG22 ' A' ' 47' ' ' THR . . . -84.32 -59.64 2.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.078 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.577 ' HB ' ' CE2' ' A' ' 26' ' ' TYR . 12.3 p -53.77 -23.83 9.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.124 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.31 -44.04 20.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.495 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.3 t -73.89 -22.55 59.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -79.16 -40.94 29.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 96.3 mt -89.21 -10.32 47.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.67 44.72 3.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.859 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.3 m -124.96 144.47 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.136 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.418 ' O ' ' N ' ' A' ' 55' ' ' ILE . 13.5 t0 -51.59 133.58 30.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.5 p -38.62 -45.22 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -52.57 -42.56 64.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.848 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 52' ' ' ASP . 29.1 mm -49.66 -37.5 12.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.087 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG21 HG13 ' A' ' 45' ' ' VAL . 96.3 t -87.43 -69.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.124 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.811 ' HG3' HD13 ' A' ' 42' ' ' ILE . 33.0 mtp180 -39.94 -35.17 0.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 95.1 m -76.51 -46.18 27.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.441 ' CE3' HD22 ' A' ' 23' ' ' LEU . 48.7 t90 -53.25 -39.57 63.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.489 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.1 mt -59.71 -62.7 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.096 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -55.62 -46.63 81.29 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.438 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -51.45 -46.69 63.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 0.0 110.916 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.1 ttp85 -66.18 -60.51 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -46.51 -46.14 18.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.573 ' O ' HD23 ' A' ' 69' ' ' LEU . 6.4 mmm180 -66.25 -56.22 12.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -45.06 -36.89 3.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -74.51 -54.57 7.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.457 ' O ' ' N ' ' A' ' 71' ' ' GLY . 37.8 ttt180 -52.43 -50.6 62.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.844 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD23 ' O ' ' A' ' 65' ' ' ARG . 4.3 mm? -41.78 -50.7 4.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 11.4 ttp -68.95 -25.94 64.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.911 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 107.29 38.89 2.03 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 16.3 mm -98.66 151.25 4.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 0.0 111.156 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -88.97 129.93 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.907 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 74' ' ' VAL . 10.2 p -159.24 121.22 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.178 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 t -167.16 153.84 8.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.82 71.07 0.18 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.533 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 89.69 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.657 2.238 . . . . 0.0 112.383 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 77.6 p -44.46 -47.08 9.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.0 p -39.24 -47.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.89 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.47 179.999 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -104.16 104.71 14.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.906 0.384 . . . . 0.0 110.816 -179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.5 m -70.77 111.76 6.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.88 47.49 0.44 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.517 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 p -131.24 122.13 25.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.904 0.383 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -42.1 163.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.33 -94.53 1.86 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.478 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 64.53 41.28 5.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.847 0.356 . . . . 0.0 111.104 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 tp -63.65 152.46 38.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -165.49 139.04 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -86.15 111.03 19.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -87.93 -54.95 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 51.1 p -99.84 140.38 34.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -118.64 154.58 32.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -94.77 117.8 30.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.827 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.0 m -72.03 174.1 7.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -48.03 -42.72 29.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.843 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 34.9 mtm-85 -64.42 -57.26 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.17 -57.35 10.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.861 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 21' ' ' ALA . 53.8 mt -48.06 -50.53 27.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.12 -46.75 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.631 HG22 HG23 ' A' ' 45' ' ' VAL . 66.7 m -58.95 -54.71 44.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.144 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.626 HD21 HG13 ' A' ' 56' ' ' VAL . 14.5 mt -59.33 -46.57 88.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' N ' ' A' ' 27' ' ' TRP . 53.1 mtpt -55.01 -51.0 67.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.921 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.6 tttp -39.94 -46.37 2.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -71.79 -35.03 69.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 3.5 t-105 -54.88 -26.67 37.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.918 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.99 -18.91 63.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.885 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -103.04 26.06 8.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 72.4 33.88 61.03 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 4.5 ttp -75.18 5.17 5.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.861 0.363 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.449 ' HA ' HG23 ' A' ' 60' ' ' ILE . 4.3 t -81.74 39.86 0.57 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.157 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 50.6 m -142.82 147.6 35.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.453 ' O ' ' C ' ' A' ' 35' ' ' GLY . 11.4 mt -87.18 -33.15 19.47 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.453 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.33 143.15 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.462 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 39' ' ' ARG . 6.1 t -37.88 -44.2 0.75 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.939 0.4 . . . . 0.0 110.844 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.457 HG23 ' N ' ' A' ' 38' ' ' CYS . 27.6 m -34.06 -43.33 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.107 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.457 ' N ' HG23 ' A' ' 37' ' ' VAL . 61.8 m -84.57 -37.25 21.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.653 ' HA ' HD12 ' A' ' 42' ' ' ILE . 32.9 ttp180 -37.27 -44.95 0.62 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.912 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -56.67 -53.03 62.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.1 mmtt -62.19 -45.31 93.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.909 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.766 HD13 ' HG2' ' A' ' 57' ' ' ARG . 55.4 mt -50.43 -40.21 18.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.129 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -54.06 -26.49 27.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.547 ' O ' HG22 ' A' ' 47' ' ' THR . . . -83.43 -63.35 1.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.064 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.631 HG23 HG22 ' A' ' 22' ' ' THR . 9.6 p -49.85 -27.5 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -76.71 -45.6 28.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.547 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.5 t -72.46 -22.09 61.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -78.81 -40.7 32.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 89.3 mt -90.17 -6.85 54.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.9 m-80 61.68 46.17 7.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 23.1 m -125.51 147.84 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.91 123.8 9.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.0 p -42.35 -36.88 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -61.35 -44.16 97.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.31 -41.56 34.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.626 HG13 HD21 ' A' ' 23' ' ' LEU . 74.3 t -71.4 -58.91 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.766 ' HG2' HD13 ' A' ' 42' ' ' ILE . 29.9 mtp180 -47.43 -37.3 11.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.3 m -71.98 -36.82 69.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.133 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 64.0 t90 -59.06 -40.23 84.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.96 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.449 HG23 ' HA ' ' A' ' 32' ' ' THR . 90.1 mt -59.35 -64.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -49.93 -47.91 38.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -57.8 -56.36 23.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.907 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -47.55 -53.87 13.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.831 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 43.8 mtm180 -40.36 -46.45 2.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -56.62 -49.81 73.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 69' ' ' LEU . 56.2 tttp -42.77 -59.57 1.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.444 ' O ' ' C ' ' A' ' 68' ' ' ARG . 72.0 m-85 -67.14 -63.03 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 71' ' ' GLY . 18.1 mtp180 -35.05 -48.47 0.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 66' ' ' LYS . 15.8 mt -41.13 -50.72 3.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.41 ' CE ' HD11 ' A' ' 72' ' ' ILE . 38.7 ttp -71.19 -25.52 62.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . 105.09 47.02 1.19 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.497 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.41 HD11 ' CE ' ' A' ' 70' ' ' MET . 19.9 mm -94.54 138.66 20.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.77 0.319 . . . . 0.0 111.13 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -96.7 78.92 2.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 28.7 m -78.11 -19.25 13.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.8 m -117.29 81.04 1.58 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -161.07 83.45 0.13 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 118.8 5.9 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.666 2.244 . . . . 0.0 112.32 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 6.9 t -127.21 128.32 45.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.6 m -147.73 160.24 42.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.433 -179.893 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.0 m -51.04 158.65 0.69 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -123.19 147.81 46.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.853 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.7 179.18 38.61 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.514 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.4 m -131.93 163.17 28.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.908 0.385 . . . . 0.0 110.856 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.2 t -47.27 128.61 12.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.867 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.26 81.5 1.6 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.485 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.58 144.5 41.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.78 0.324 . . . . 0.0 111.154 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.557 HD23 ' HB3' ' A' ' 10' ' ' GLN . 7.8 tt -58.42 -72.71 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.951 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.557 ' HB3' HD23 ' A' ' 9' ' ' LEU . 21.8 tt0 -175.56 106.6 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLN . 1.9 m-20 -36.87 -48.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.5 mmm-85 -70.5 96.48 1.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.4 t -93.34 129.92 39.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.16 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -122.05 130.75 53.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.871 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.557 ' HZ ' HG22 ' A' ' 55' ' ' ILE . 39.3 m-85 -128.44 143.65 51.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.8 t -83.63 147.37 27.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -41.06 -51.28 3.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -52.52 -55.94 18.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.828 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.49 -58.18 9.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.433 ' O ' ' C ' ' A' ' 21' ' ' ALA . 14.3 mt -40.14 -51.64 2.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.918 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.06 -52.16 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.084 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.8 m -57.94 -57.46 12.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.674 HD23 HG21 ' A' ' 45' ' ' VAL . 13.1 mt -55.7 -59.66 4.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.62 -44.91 9.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -46.95 -45.46 20.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.569 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 84.4 m-85 -69.5 -37.4 77.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . . . . . . . . . 14.4 t-105 -59.1 -19.37 43.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.927 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.69 -3.92 58.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.8 t30 -113.15 16.08 19.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 91.26 23.5 29.19 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.499 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.435 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.9 ttp -83.01 37.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.86 0.362 . . . . 0.0 110.887 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.488 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 38.3 p -83.61 -35.37 24.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.2 m -100.91 174.15 6.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.468 HD21 ' O ' ' A' ' 57' ' ' ARG . 10.7 mt -105.46 -71.57 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.928 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.03 -133.59 0.5 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.488 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 t -118.97 -41.48 2.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.922 0.391 . . . . 0.0 110.916 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 5.2 p -54.78 -29.43 21.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 65.5 m -99.74 -32.55 10.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.694 ' HA ' HD12 ' A' ' 42' ' ' ILE . 28.0 ttm180 -41.37 -43.93 2.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.862 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -52.97 -54.98 27.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.449 ' HE3' ' N ' ' A' ' 41' ' ' LYS . 0.0 OUTLIER -50.66 -48.53 58.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.798 HG21 ' HG3' ' A' ' 57' ' ' ARG . 26.9 mt -53.88 -42.88 55.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.106 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -54.4 -20.73 7.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 47' ' ' THR . . . -89.55 -63.61 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.06 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.674 HG21 HD23 ' A' ' 23' ' ' LEU . 11.6 p -47.88 -27.79 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.154 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.76 -47.05 27.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.543 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.6 t -71.75 -22.24 61.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.167 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -80.86 -38.36 28.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 77.0 mt -92.59 -4.13 53.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.918 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.3 m120 56.48 46.44 20.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.2 m -127.15 143.42 40.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 49.6 m-20 -47.11 121.99 4.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 26.3 p -40.26 -40.91 1.23 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.931 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.24 -45.68 68.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.557 HG22 ' HZ ' ' A' ' 15' ' ' PHE . 83.9 mt -50.75 -43.5 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.123 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.637 HG13 HD21 ' A' ' 23' ' ' LEU . 85.8 t -74.75 -64.56 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.798 ' HG3' HG21 ' A' ' 42' ' ' ILE . 43.2 mtp180 -43.25 -38.71 2.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 98.3 m -72.46 -38.19 68.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.161 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 45.8 t90 -59.4 -39.17 82.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.942 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' A' ' 32' ' ' THR . 78.3 mt -61.14 -64.73 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -47.65 -42.21 20.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.482 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -62.85 -46.86 85.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.825 0.345 . . . . 0.0 110.866 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.561 ' HG3' ' CE2' ' A' ' 67' ' ' TYR . 11.1 tpt180 -54.7 -59.31 4.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 64' ' ' ARG . 9.6 mtp-105 -40.49 -32.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.852 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 13.9 tpp180 -72.82 -52.64 14.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.466 ' HZ2' ' HA ' ' A' ' 63' ' ' ARG . 0.0 OUTLIER -62.74 -30.58 71.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.561 ' CE2' ' HG3' ' A' ' 63' ' ' ARG . 3.6 m-85 -71.97 -55.63 7.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -54.51 -41.62 69.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.7 mt -54.24 -43.15 70.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.511 ' CE ' HD11 ' A' ' 72' ' ' ILE . 63.1 ttp -70.72 -25.96 63.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.5 56.25 0.54 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.471 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.511 HD11 ' CE ' ' A' ' 70' ' ' MET . 50.6 mm -108.32 130.72 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.805 0.336 . . . . 0.0 111.148 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -81.64 50.02 1.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 8.5 p -80.68 134.99 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.131 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 81.5 p -108.85 176.27 5.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.466 ' N ' ' HD2' ' A' ' 77' ' ' PRO . . . 156.38 -59.97 0.36 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.447 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' HD2' ' N ' ' A' ' 76' ' ' GLY . 53.5 Cg_endo -69.78 -10.66 29.09 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.609 2.206 . . . . 0.0 112.369 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.9 m -76.34 103.71 6.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 23.1 m -104.39 -47.71 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.862 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.516 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 t -165.1 131.55 2.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 p -81.77 163.26 22.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.863 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.1 122.01 5.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.485 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 t -135.4 149.19 49.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.905 0.383 . . . . 0.0 110.858 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 t -43.79 156.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.847 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -102.72 111.07 3.9 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.529 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -46.11 -58.44 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 111.08 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 31.2 mt -119.38 149.43 41.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.942 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.6 tt0 -85.83 97.76 10.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -123.15 104.14 8.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 16.5 ttp180 -60.85 151.03 31.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -94.76 124.38 38.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.154 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -104.28 125.61 50.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -83.34 150.2 26.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.4 m -90.21 162.1 15.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -51.26 -43.82 61.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.856 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mpp_? -62.15 -53.2 58.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 77.2 m-20 -57.18 -47.53 80.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.808 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 21' ' ' ALA . 27.1 mt -57.25 -50.66 72.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.933 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 20' ' ' LEU . . . -34.07 -49.91 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.108 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.833 HG22 HG23 ' A' ' 45' ' ' VAL . 26.0 m -59.52 -56.1 26.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.597 HD13 ' CD2' ' A' ' 59' ' ' TRP . 14.6 mt -53.38 -61.67 2.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.943 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -44.19 -42.88 6.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -47.57 -55.03 10.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.457 ' CE2' ' HB ' ' A' ' 45' ' ' VAL . 97.1 m-85 -65.63 -37.1 85.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.48 ' CZ3' ' HD3' ' A' ' 63' ' ' ARG . 13.6 t-105 -57.75 -26.18 61.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -80.82 -3.77 52.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 38.2 t30 -110.95 18.1 19.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.9 15.34 56.52 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.433 ' SD ' ' CB ' ' A' ' 26' ' ' TYR . 6.3 ttp -79.47 44.26 0.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 60' ' ' ILE . 30.8 p -88.21 -41.05 13.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.113 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 15.3 m -97.64 173.73 6.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.829 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' GLY . 7.9 mt -108.39 -68.53 0.9 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . 35.8 -116.3 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.538 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 4.1 m -129.28 -50.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.887 0.375 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.435 HG13 ' N ' ' A' ' 38' ' ' CYS . 7.6 p -47.17 -42.28 6.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.193 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.435 ' N ' HG13 ' A' ' 37' ' ' VAL . 64.5 m -77.22 -39.57 48.1 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.774 ' HA ' HD12 ' A' ' 42' ' ' ILE . 13.9 ttp85 -37.98 -43.46 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.86 -179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -55.44 -51.84 65.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 32.6 mmtm -56.47 -48.7 76.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.832 HG21 ' HG3' ' A' ' 57' ' ' ARG . 18.8 mt -51.4 -41.42 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.129 179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -55.38 -22.56 20.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.551 ' O ' HG22 ' A' ' 47' ' ' THR . . . -86.92 -61.44 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.081 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.855 HG13 HG21 ' A' ' 56' ' ' VAL . 8.1 p -51.88 -24.52 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -78.82 -43.41 25.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.088 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.551 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.9 t -74.74 -22.42 58.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.126 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -80.8 -37.6 29.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 80.8 mt -91.06 -4.68 56.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.8 m120 60.71 44.73 10.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.03 145.39 34.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -53.43 133.26 40.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.7 m -38.93 -48.38 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.827 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -43.51 -43.48 5.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 37.2 mm -49.78 -41.59 17.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.855 HG21 HG13 ' A' ' 45' ' ' VAL . 78.9 t -83.27 -67.94 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.129 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.832 ' HG3' HG21 ' A' ' 42' ' ' ILE . 47.8 mtp85 -38.84 -41.25 0.71 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.825 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 93.9 m -71.52 -37.94 71.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.597 ' CD2' HD13 ' A' ' 23' ' ' LEU . 37.5 t90 -62.76 -43.9 97.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.5 ' CG2' ' O ' ' A' ' 32' ' ' THR . 81.7 mt -52.48 -59.71 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -52.66 -42.94 59.22 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.461 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -59.7 -47.05 87.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.862 0.363 . . . . 0.0 110.91 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD2' ' CZ2' ' A' ' 59' ' ' TRP . 45.5 ttt85 -54.47 -52.97 60.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.905 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtp180 -46.63 -49.4 19.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.73 ' CD ' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -57.89 -56.35 23.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 -179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -42.28 -56.67 2.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.6 m-85 -48.46 -70.63 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -50.34 -30.24 11.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.73 HD12 ' CD ' ' A' ' 65' ' ' ARG . 1.2 tt -59.33 -51.71 68.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.959 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 39.0 ttp -74.39 -25.0 59.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 108.63 42.09 1.39 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.505 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 31.2 mm -102.91 129.47 54.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.353 . . . . 0.0 111.104 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -76.44 101.53 5.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 74' ' ' VAL . 10.2 p -114.29 41.13 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.088 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.9 t -101.01 155.93 17.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.17 -158.21 8.69 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.534 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 86.76 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.363 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 68.3 m 62.79 41.44 8.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -51.18 142.71 12.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 t -133.39 157.38 45.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.83 0.347 . . . . 0.0 110.851 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 t -71.91 123.29 22.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.844 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -71.03 99.88 0.81 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.501 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 82.9 p -132.64 158.63 41.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.873 0.368 . . . . 0.0 110.846 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 45.7 t -167.03 138.42 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.892 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.21 106.84 1.03 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.473 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -167.01 132.8 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.329 . . . . 0.0 111.131 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.3 tt -121.56 94.58 4.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 35.5 tp60 66.45 41.96 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.932 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -95.5 41.86 1.1 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.461 ' HG2' ' N ' ' A' ' 13' ' ' THR . 24.7 ttt180 -76.91 150.4 35.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.87 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.461 ' N ' ' HG2' ' A' ' 12' ' ' ARG . 46.1 p -134.17 163.35 29.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.2 tp-100 -124.91 148.54 48.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -101.23 154.6 18.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.2 t -95.04 151.98 18.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.883 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -45.56 -42.44 11.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 3.4 ptp180 -66.07 -36.18 82.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.833 -179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.486 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 75.6 m-20 -72.25 -56.76 4.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.3 mt -44.43 -47.06 9.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.25 -51.48 1.48 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.106 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.585 HG22 HG23 ' A' ' 45' ' ' VAL . 22.8 m -56.24 -48.22 76.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.1 mt -60.78 -47.27 87.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.3 mtpp -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 tmtm? -41.87 -47.88 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -68.81 -37.59 79.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 27' ' ' TRP . 3.2 t-105 -53.22 -30.26 36.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -57.5 -21.99 41.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -100.72 27.32 5.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 69.12 33.67 74.44 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.512 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.426 ' O ' HD13 ' A' ' 60' ' ' ILE . 4.7 ttp -71.33 0.63 7.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.877 0.37 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.507 ' HA ' HG23 ' A' ' 60' ' ' ILE . 8.5 t -81.82 39.82 0.57 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.7 m -139.13 130.96 27.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.452 ' O ' ' C ' ' A' ' 35' ' ' GLY . 12.7 mt -73.12 -33.69 65.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 34' ' ' LEU . . . -34.42 134.79 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.466 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' N ' ' A' ' 39' ' ' ARG . 9.4 t -40.78 -44.47 2.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.777 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 38' ' ' CYS . 7.5 p -36.6 -41.95 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.113 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.432 ' N ' HG13 ' A' ' 37' ' ' VAL . 8.2 m -88.83 -31.96 18.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.585 ' HA ' HD12 ' A' ' 42' ' ' ILE . 37.1 ttp180 -40.14 -38.57 0.77 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -52.97 -49.34 66.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -64.17 -46.71 82.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.692 HG23 ' CG1' ' A' ' 56' ' ' VAL . 64.2 mt -52.07 -37.72 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.133 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -56.17 -26.78 51.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.501 ' O ' HG22 ' A' ' 47' ' ' THR . . . -82.63 -62.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.131 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.585 HG23 HG22 ' A' ' 22' ' ' THR . 8.6 p -48.45 -26.32 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -79.14 -46.12 18.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 44' ' ' ALA . 5.4 t -72.14 -22.19 61.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -80.29 -36.9 33.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.6 mt -91.31 -6.59 52.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.8 m120 63.61 41.88 6.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 28.3 m -125.47 147.58 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.105 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -48.31 126.0 10.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.874 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 2.1 p -48.85 -24.77 1.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -70.32 -43.11 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.0 mt -51.69 -36.74 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.692 ' CG1' HG23 ' A' ' 42' ' ' ILE . 66.7 t -75.64 -57.17 6.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.149 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.497 ' HG3' HG21 ' A' ' 42' ' ' ILE . 48.8 mtp180 -49.25 -38.31 26.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 89.4 m -72.45 -38.23 68.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.123 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 55.4 t90 -57.34 -39.39 75.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.507 HG23 ' HA ' ' A' ' 32' ' ' THR . 92.7 mt -61.35 -61.59 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.088 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -48.15 -37.66 17.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.45 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.3 m-20 -67.11 -59.59 3.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.864 0.364 . . . . 0.0 110.883 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 3.2 tpt180 -42.74 -56.05 3.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 51.2 mtm180 -40.8 -46.05 2.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.686 ' HD3' HD12 ' A' ' 69' ' ' LEU . 2.5 tmm_? -59.51 -61.08 2.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 65' ' ' ARG . 18.5 tttp -36.7 -36.74 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 69' ' ' LEU . 71.5 m-85 -86.81 -70.08 0.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.0 ttt85 -38.77 -27.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.882 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.686 HD12 ' HD3' ' A' ' 65' ' ' ARG . 1.4 tt -56.21 -50.58 70.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 43.8 mtm -77.37 -25.32 50.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 110.96 36.07 1.9 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.458 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 67.0 mt -107.09 114.61 46.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 0.0 111.084 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -89.28 95.38 10.27 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.897 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 74' ' ' VAL . 30.3 m -53.68 119.54 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.104 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 43.0 m -158.62 166.74 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -168.85 73.8 0.13 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.451 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 103.65 1.2 Allowed 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.686 2.257 . . . . 0.0 112.355 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 8.1 t 41.42 42.09 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.81 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 42.0 t -112.13 153.58 26.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.466 -179.999 . . . . . . . . 0 0 . 1 stop_ save_