data_2lwv_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 2lwv _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 ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.876 0.37 . . . . 63.22 110.813 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.2 m -146.94 152.47 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.9 pt -139.48 147.66 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.102 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -110.53 134.61 52.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.99 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.17 158.28 36.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.627 0.727 . . . . 71.33 111.11 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.75 144.8 55.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 71.43 112.384 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.85 169.83 61.83 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.62 -1.825 . . . . 70.02 112.283 0.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -41.6 -37.57 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 73.4 110.851 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.9 69.13 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.419 . . . . 72.13 111.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.82 94.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.198 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -129.93 122.86 29.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.932 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.9 mt -93.96 112.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 71.14 111.07 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -105.68 115.54 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.851 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.19 -179.61 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.869 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -84.69 -23.52 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.902 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.873 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.818 0.342 . . . . 74.34 110.894 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.2 m -147.06 153.8 40.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 pt -140.13 160.57 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.092 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -117.0 135.81 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.18 158.04 36.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.724 0.773 . . . . 75.34 111.055 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.29 52.95 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 72.45 112.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.4 Cg_endo -69.78 168.57 67.09 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 -1.792 . . . . 73.14 112.305 -0.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 mmm -41.53 -37.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.83 69.42 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.02 111.105 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.02 99.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 65.35 111.136 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 128.19 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 64.14 110.812 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mm -104.9 118.09 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 73.35 111.157 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m -111.26 145.03 39.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 74.1 110.93 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -104.28 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 72.41 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -84.93 1.37 47.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.834 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 70.34 110.888 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 65.25 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.67 161.84 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 62.22 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.6 149.24 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.117 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -110.07 135.0 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.893 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.23 158.22 36.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.674 0.75 . . . . 74.02 111.149 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.8 144.61 54.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.728 2.285 . . . . 75.25 112.347 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.9 Cg_endo -69.8 169.72 62.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 -1.812 . . . . 73.14 112.294 0.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mtp -41.95 -36.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.892 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.15 69.22 7.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.12 111.072 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.73 96.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 75.22 111.179 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -126.76 119.19 26.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.864 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.88 117.33 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 73.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -106.7 155.39 19.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 73.4 110.835 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.5 176.9 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.931 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -84.87 1.37 47.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 73.33 110.83 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.811 0.339 . . . . 74.21 110.912 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -147.84 149.91 33.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.816 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 pt -142.14 165.01 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.33 111.135 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -115.15 138.53 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.16 158.12 36.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 73.31 111.204 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.68 144.14 53.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.786 2.324 . . . . 73.23 112.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.77 168.92 65.81 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 -1.813 . . . . 74.04 112.306 -0.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 30.2 ttp -41.63 -37.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.911 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.98 69.46 7.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.088 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.19 96.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 71.11 111.131 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -113.47 116.7 30.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 71.43 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -92.2 117.31 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 71.55 111.114 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.47 158.25 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.45 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.03 -179.32 3.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.909 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.9 p -80.66 -24.27 39.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 73.32 110.914 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 64.52 110.85 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.819 0.343 . . . . 74.31 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.8 m -141.12 162.0 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 63.54 110.887 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.25 142.52 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.184 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -101.63 132.35 47.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.21 157.57 37.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 73.21 111.233 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.69 144.21 53.68 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.682 2.254 . . . . 75.44 112.369 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.74 168.3 67.88 Favored 'Cis proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.823 -1.74 . . . . 72.24 112.326 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mmm -41.32 -37.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.894 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.76 69.43 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.33 111.081 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.35 100.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 74.14 111.131 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -131.73 127.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 74.15 110.842 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mt -105.88 117.48 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 73.41 111.112 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.4 m -103.35 115.7 31.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.89 172.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -55.16 -41.24 71.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 74.31 110.923 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.831 0.348 . . . . 65.11 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.9 m -136.98 163.68 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.874 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 pt -141.64 146.49 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 70.11 111.083 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.45 135.42 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 71.13 110.961 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.17 157.97 36.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 71.21 111.157 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.0 Cg_endo -69.79 144.19 53.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 73.35 112.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.0 Cg_endo -69.78 168.37 67.8 Favored 'Cis proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.76 -1.767 . . . . 74.24 112.291 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.8 tpt -41.28 -37.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.917 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.78 69.45 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.0 111.129 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.57 99.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.22 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.17 122.79 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 74.21 110.894 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 mm -103.83 127.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.08 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.21 117.17 33.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 75.45 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.17 -178.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.2 110.865 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -61.83 -55.85 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.953 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 70.35 110.79 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.828 0.347 . . . . 75.15 110.843 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -146.58 146.81 30.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 75.01 110.839 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.2 pt -143.33 148.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 74.2 111.056 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -105.44 141.2 37.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.905 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 m -150.04 158.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 74.42 111.13 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.63 143.98 53.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 73.22 112.356 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.63 168.32 67.44 Favored 'Cis proline' 0 C--N 1.343 0.237 0 C-N-CA 122.661 -1.808 . . . . 74.33 112.377 -0.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 tpt -41.26 -37.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.895 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.86 69.59 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.085 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.82 97.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 75.14 111.202 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -130.6 138.22 50.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 61.45 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 tt -120.64 125.71 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 73.25 111.123 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.5 m -112.64 115.61 28.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 62.04 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.41 176.39 4.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -84.8 1.31 47.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.926 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 65.41 110.832 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.347 . . . . 74.41 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.6 m -138.44 164.58 29.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.948 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.7 pt -144.01 148.26 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.31 111.122 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.13 133.75 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 61.05 110.942 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.11 157.62 37.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.714 . . . . 74.23 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.532 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.6 Cg_endo -69.85 143.89 51.84 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.737 2.291 . . . . 74.14 112.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.72 167.85 69.44 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.742 -1.774 . . . . 75.4 112.308 -0.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.6 ttt -41.24 -37.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.882 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.75 69.65 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.02 99.14 0.96 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 75.13 111.171 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.9 113.61 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 72.22 110.843 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mm -92.26 123.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.23 111.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.0 m -110.95 120.65 43.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 51.34 110.853 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.34 -178.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.843 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -60.31 -55.46 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.917 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.879 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.859 0.361 . . . . 73.22 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -146.5 146.93 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.5 pt -143.41 152.17 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.03 111.131 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -107.43 141.9 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.99 158.27 37.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 62.52 111.134 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 143.79 52.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 74.34 112.409 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.5 Cg_endo -69.83 168.35 68.06 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 -1.788 . . . . 61.21 112.295 -0.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -41.36 -37.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.92 69.68 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 74.4 111.094 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -164.08 99.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.185 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.52 138.07 50.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 54.03 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 tp -120.89 124.92 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.03 111.221 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -112.25 115.61 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.947 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.39 176.48 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.874 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 t -84.95 1.31 47.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 63.02 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 75.14 110.88 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.821 0.344 . . . . 73.3 110.92 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.0 m -142.83 159.24 42.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 55.11 110.829 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.7 pt -140.43 155.25 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.2 111.063 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -104.54 133.74 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.856 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 m -150.21 157.48 37.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 62.01 111.085 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.3 Cg_endo -69.74 143.81 52.15 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.659 2.239 . . . . 52.52 112.335 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.3 Cg_endo -69.75 167.87 69.49 Favored 'Cis proline' 0 N--CA 1.466 -0.119 0 C-N-CA 122.7 -1.792 . . . . 72.34 112.278 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.59 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 72.41 111.148 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.02 100.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 72.23 111.143 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.45 115.27 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 64.42 110.923 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.8 mm -92.19 119.17 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.52 111.139 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.8 m -110.4 124.72 52.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.2 179.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.947 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 p -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.88 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.817 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.759 0.314 . . . . 65.1 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.1 m -147.21 138.13 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 53.14 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.0 pt -147.16 163.77 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.113 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -98.97 141.9 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 72.53 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.42 158.22 54.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.559 0.695 . . . . 74.13 111.222 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.532 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.94 143.53 50.24 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.647 2.231 . . . . 64.42 112.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.7 Cg_endo -69.63 167.87 69.11 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.722 -1.782 . . . . 60.21 112.367 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmt -40.82 -38.24 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.908 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.43 69.58 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.14 111.136 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.74 99.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 60.05 111.164 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -109.77 115.58 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.25 110.944 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.3 pt -97.52 135.96 30.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.157 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.21 115.59 19.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.877 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.25 171.99 12.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.817 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -85.01 1.4 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 70.22 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 75.0 110.802 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 74.51 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -146.51 147.41 31.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.89 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.7 pt -143.08 151.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 71.33 111.111 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -107.99 141.5 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.0 158.25 37.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 73.12 111.17 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.515 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.78 143.85 52.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.588 2.192 . . . . 71.33 112.362 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.71 168.23 68.04 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 -1.805 . . . . 73.14 112.381 -0.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ptp -41.45 -37.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.81 69.47 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.76 99.48 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.53 111.107 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.71 144.42 51.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.8 tt -128.35 125.49 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 71.45 111.141 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.9 m -112.54 115.51 28.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.883 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.37 177.67 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 75.5 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 p -85.06 1.29 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 64.02 110.872 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.864 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.94 0.4 . . . . 70.01 110.818 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -149.6 151.37 33.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.822 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -151.2 163.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 72.44 111.072 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -113.19 137.96 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.9 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.2 158.2 36.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 73.24 111.05 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.17 52.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.587 2.191 . . . . 65.24 112.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.72 168.56 66.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 -1.801 . . . . 73.44 112.374 -0.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.0 mtt -41.42 -37.2 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.843 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.85 69.52 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 52.15 111.068 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.16 98.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 74.44 111.165 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.02 117.03 28.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 74.13 110.849 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.7 mm -92.34 118.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 70.33 111.165 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.9 m -120.86 132.29 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -92.02 177.92 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.2 110.919 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -84.9 1.5 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.906 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 61.01 110.808 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.883 0.373 . . . . 74.23 110.826 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.8 m -137.85 166.56 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.899 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 pp -142.01 144.63 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 53.23 111.131 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 132.4 45.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.914 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.23 157.43 37.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 75.11 111.206 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.535 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.72 144.1 53.14 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.693 2.262 . . . . 74.45 112.383 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.74 168.09 68.65 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.759 -1.767 . . . . 62.22 112.355 -0.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.9 ttm -41.38 -37.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.849 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.47 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 72.35 111.155 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.2 96.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 65.25 111.078 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -124.82 119.46 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 73.32 110.838 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -98.22 123.85 50.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 74.14 111.108 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.1 m -108.94 117.01 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 52.32 110.865 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.77 -178.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.816 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -60.48 -56.18 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.822 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.84 0.352 . . . . 65.22 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.91 139.52 24.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.6 pt -146.58 162.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.2 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -97.64 141.73 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 70.51 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -145.07 158.2 52.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 75.34 111.165 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 75.35 112.368 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.83 167.71 70.29 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 -1.781 . . . . 74.32 112.292 0.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttt -40.81 -38.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 65.14 110.948 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.46 69.56 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 55.42 111.163 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.59 101.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.179 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 116.21 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -97.6 134.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 75.32 111.147 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.03 115.65 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.867 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.91 172.85 11.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 73.53 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -85.01 1.29 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.908 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.529 . . . . 75.31 110.761 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.72 0.295 . . . . 72.52 110.988 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.5 m -138.64 170.57 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 70.3 110.909 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.59 145.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -100.8 133.07 45.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.908 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.16 157.53 37.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 74.41 111.153 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.534 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.79 143.88 52.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 75.24 112.39 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.0 Cg_endo -69.82 168.15 68.73 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 -1.809 . . . . 71.13 112.38 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mmt -41.66 -36.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 71.11 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.96 69.61 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 62.32 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.28 97.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 55.14 111.148 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -124.43 118.44 26.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mm -97.78 124.41 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 71.11 111.184 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.3 m -111.41 121.31 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 72.23 110.822 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -178.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 74.04 110.889 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -59.9 -55.82 29.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 62.22 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.869 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.888 0.375 . . . . 72.23 110.772 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m -147.63 142.25 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.861 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.24 160.66 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.54 111.133 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.56 141.35 32.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.23 110.972 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -145.32 157.94 52.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 73.41 111.159 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.4 Cg_endo -69.74 143.33 50.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.7 2.266 . . . . 70.32 112.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.75 167.43 71.04 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.787 -1.755 . . . . 72.35 112.291 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 tpt -40.76 -38.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 54.24 110.846 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 69.54 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 72.23 111.121 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.2 101.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.119 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -108.97 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 53.03 110.857 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 tp -101.21 127.29 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.24 111.173 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.3 m -116.81 161.51 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.31 110.932 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -117.77 176.5 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.01 110.848 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -84.94 1.48 47.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.841 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 73.32 110.881 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.915 0.388 . . . . 72.11 110.855 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -142.55 168.2 20.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -147.63 146.75 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.117 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -97.35 140.38 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.956 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.0 158.32 36.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.758 . . . . 73.21 111.109 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.81 143.92 52.16 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 72.23 112.302 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.7 Cg_endo -69.78 168.31 68.01 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.72 -1.783 . . . . 74.13 112.29 -0.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 tpt -41.06 -37.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.933 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 69.44 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 74.34 111.118 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.89 99.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 73.45 111.188 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -123.62 119.19 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.843 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 tt -105.34 130.38 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.16 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -107.25 161.13 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 75.5 110.966 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.817 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -61.25 -46.57 89.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.814 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.824 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 74.31 110.851 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.5 m -147.07 143.91 28.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.855 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.3 pt -144.79 155.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.42 111.159 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -98.28 141.58 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.932 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.75 158.21 46.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.598 0.713 . . . . 75.44 111.179 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.53 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.76 143.59 51.34 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 2.222 . . . . 72.14 112.364 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.6 Cg_endo -69.71 167.93 69.15 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 -1.801 . . . . 73.2 112.389 -0.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.3 mtm -41.01 -38.01 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 64.5 110.803 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 69.6 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 73.43 111.097 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.72 100.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 72.23 111.184 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -115.18 116.87 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.939 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 pt -103.32 134.37 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.12 111.147 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m -120.53 161.46 21.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.925 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.29 178.76 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.854 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -85.03 1.51 47.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.861 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 64.13 110.908 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.914 0.388 . . . . 72.44 110.756 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -147.2 143.6 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 52.33 110.897 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.61 164.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 74.04 111.152 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -102.49 141.52 35.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.54 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.82 158.06 53.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.709 0.766 . . . . 75.23 111.044 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.82 143.39 50.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.28 . . . . 73.21 112.292 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.78 167.62 70.45 Favored 'Cis proline' 0 C--N 1.343 0.258 0 C-N-CA 122.63 -1.821 . . . . 74.04 112.336 -0.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.1 ptp -40.81 -38.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.949 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.55 69.74 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.087 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.42 100.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 73.2 111.111 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.35 114.65 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 73.01 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 tp -99.84 123.22 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.01 111.144 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.4 m -112.21 161.55 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 73.14 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.51 174.24 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.896 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 p -84.96 1.38 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.815 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.85 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.517 -0.233 . . . . 74.23 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -117.2 144.59 44.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 63.22 110.813 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.2 m -146.94 152.47 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.9 pt -139.48 147.66 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.102 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -110.53 134.61 52.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 75.31 110.99 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.17 158.28 36.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.627 0.727 . . . . 71.33 111.11 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.75 144.8 55.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 71.43 112.384 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.85 169.83 61.83 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.62 -1.825 . . . . 70.02 112.283 0.001 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -41.6 -37.57 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 73.4 110.851 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.9 69.13 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.419 . . . . 72.13 111.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.82 94.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.198 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -129.93 122.86 29.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.932 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 63.9 mt -93.96 112.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 71.14 111.07 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -105.68 115.54 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 72.32 110.851 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.19 -179.61 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.869 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -84.69 -23.52 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.902 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.873 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.482 -0.247 . . . . 62.42 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -114.74 144.79 42.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 74.34 110.894 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.2 m -147.06 153.8 40.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.5 pt -140.13 160.57 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.092 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -117.0 135.81 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.18 158.04 36.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.724 0.773 . . . . 75.34 111.055 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.29 52.95 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 72.45 112.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.4 Cg_endo -69.78 168.57 67.09 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 -1.792 . . . . 73.14 112.305 -0.054 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 mmm -41.53 -37.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.83 69.42 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 73.02 111.105 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.02 99.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 65.35 111.136 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 128.19 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 64.14 110.812 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mm -104.9 118.09 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 73.35 111.157 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m -111.26 145.03 39.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 74.1 110.93 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -104.28 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 72.41 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -84.93 1.37 47.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.834 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 70.34 110.888 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.453 -0.259 . . . . 63.01 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -117.04 144.74 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 65.25 110.822 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.67 161.84 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 62.22 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.6 149.24 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 71.22 111.117 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -110.07 135.0 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.893 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.23 158.22 36.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.674 0.75 . . . . 74.02 111.149 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.8 144.61 54.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.728 2.285 . . . . 75.25 112.347 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.9 Cg_endo -69.8 169.72 62.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 -1.812 . . . . 73.14 112.294 0.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mtp -41.95 -36.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.892 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.15 69.22 7.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.12 111.072 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.73 96.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 75.22 111.179 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -126.76 119.19 26.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.864 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.88 117.33 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 73.0 111.171 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -106.7 155.39 19.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 73.4 110.835 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.5 176.9 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.931 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -84.87 1.37 47.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 73.33 110.83 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.476 -0.25 . . . . 72.12 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -113.29 144.02 43.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 74.21 110.912 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -147.84 149.91 33.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.816 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.8 pt -142.14 165.01 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.33 111.135 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -115.15 138.53 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.16 158.12 36.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 73.31 111.204 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.527 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.68 144.14 53.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.786 2.324 . . . . 73.23 112.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.77 168.92 65.81 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 -1.813 . . . . 74.04 112.306 -0.065 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 30.2 ttp -41.63 -37.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 65.42 110.911 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.98 69.46 7.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.088 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.19 96.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 71.11 111.131 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -113.47 116.7 30.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 71.43 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -92.2 117.31 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 71.55 111.114 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.47 158.25 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.45 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.03 -179.32 3.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 75.11 110.909 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.9 p -80.66 -24.27 39.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 73.32 110.914 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 64.52 110.85 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.43 -0.268 . . . . 65.32 112.43 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -53.98 145.39 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.343 . . . . 74.31 110.842 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.8 m -141.12 162.0 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 63.54 110.887 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.25 142.52 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.184 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -101.63 132.35 47.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.44 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.21 157.57 37.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 73.21 111.233 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.69 144.21 53.68 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.682 2.254 . . . . 75.44 112.369 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.74 168.3 67.88 Favored 'Cis proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.823 -1.74 . . . . 72.24 112.326 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mmm -41.32 -37.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.31 110.894 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.76 69.43 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.33 111.081 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.35 100.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 74.14 111.131 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -131.73 127.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 74.15 110.842 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mt -105.88 117.48 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 73.41 111.112 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.4 m -103.35 115.7 31.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.89 172.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -55.16 -41.24 71.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 74.31 110.923 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.425 -0.27 . . . . 64.41 112.425 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -51.53 145.68 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 65.11 110.861 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.9 m -136.98 163.68 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 72.44 110.874 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 7.4 pt -141.64 146.49 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 70.11 111.083 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.45 135.42 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 71.13 110.961 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.17 157.97 36.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 71.21 111.157 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.0 Cg_endo -69.79 144.19 53.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 73.35 112.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.0 Cg_endo -69.78 168.37 67.8 Favored 'Cis proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.76 -1.767 . . . . 74.24 112.291 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.8 tpt -41.28 -37.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.917 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.78 69.45 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.0 111.129 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.57 99.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 71.22 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.17 122.79 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 74.21 110.894 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 mm -103.83 127.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 74.23 111.08 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.21 117.17 33.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 75.45 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.17 -178.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.2 110.865 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -61.83 -55.85 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.953 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 70.35 110.79 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.506 -0.238 . . . . 65.35 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -115.36 140.84 48.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 75.15 110.843 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -146.58 146.81 30.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 75.01 110.839 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.2 pt -143.33 148.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 74.2 111.056 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -105.44 141.2 37.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.905 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 m -150.04 158.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 74.42 111.13 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.516 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.63 143.98 53.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 73.22 112.356 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.516 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.63 168.32 67.44 Favored 'Cis proline' 0 C--N 1.343 0.237 0 C-N-CA 122.661 -1.808 . . . . 74.33 112.377 -0.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 tpt -41.26 -37.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 73.13 110.895 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.86 69.59 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.43 111.085 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.82 97.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 75.14 111.202 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -130.6 138.22 50.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 61.45 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 tt -120.64 125.71 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 73.25 111.123 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.5 m -112.64 115.61 28.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 62.04 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.41 176.39 4.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -84.8 1.31 47.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.22 110.926 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 65.41 110.832 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.565 -0.214 . . . . 72.42 112.565 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -51.56 145.63 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 74.41 110.857 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.6 m -138.44 164.58 29.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.948 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 4.7 pt -144.01 148.26 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.31 111.122 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.13 133.75 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 61.05 110.942 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.11 157.62 37.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.714 . . . . 74.23 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.532 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.6 Cg_endo -69.85 143.89 51.84 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.737 2.291 . . . . 74.14 112.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.72 167.85 69.44 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.742 -1.774 . . . . 75.4 112.308 -0.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.6 ttt -41.24 -37.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.882 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.75 69.65 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.02 99.14 0.96 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 75.13 111.171 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.9 113.61 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 72.22 110.843 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mm -92.26 123.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.23 111.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.0 m -110.95 120.65 43.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 51.34 110.853 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.34 -178.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.843 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -60.31 -55.46 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.917 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.879 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.495 -0.242 . . . . 42.33 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -115.73 141.26 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 73.22 110.923 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -146.5 146.93 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 73.43 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.5 pt -143.41 152.17 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.03 111.131 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -107.43 141.9 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 75.1 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.99 158.27 37.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 62.52 111.134 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.519 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 143.79 52.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 74.34 112.409 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.5 Cg_endo -69.83 168.35 68.06 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 -1.788 . . . . 61.21 112.295 -0.013 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -41.36 -37.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 72.11 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.92 69.68 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 74.4 111.094 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -164.08 99.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.185 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.52 138.07 50.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 54.03 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 tp -120.89 124.92 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 72.03 111.221 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -112.25 115.61 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.947 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.39 176.48 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 73.3 110.874 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 t -84.95 1.31 47.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 63.02 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 75.14 110.88 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.548 -0.221 . . . . 74.42 112.548 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -51.65 145.28 9.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.344 . . . . 73.3 110.92 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.0 m -142.83 159.24 42.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 55.11 110.829 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.7 pt -140.43 155.25 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.2 111.063 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -104.54 133.74 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.856 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 m -150.21 157.48 37.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 62.01 111.085 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.3 Cg_endo -69.74 143.81 52.15 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.659 2.239 . . . . 52.52 112.335 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.3 Cg_endo -69.75 167.87 69.49 Favored 'Cis proline' 0 N--CA 1.466 -0.119 0 C-N-CA 122.7 -1.792 . . . . 72.34 112.278 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.59 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 72.41 111.148 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.02 100.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 72.23 111.143 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.45 115.27 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 64.42 110.923 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.8 mm -92.19 119.17 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 71.52 111.139 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.8 m -110.4 124.72 52.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.2 179.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.31 110.947 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 p -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 74.31 110.88 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.817 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.526 -0.23 . . . . 75.4 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -114.37 140.29 48.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 65.1 110.875 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.1 m -147.21 138.13 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 53.14 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.0 pt -147.16 163.77 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.113 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -98.97 141.9 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 72.53 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.42 158.22 54.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.559 0.695 . . . . 74.13 111.222 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.532 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.94 143.53 50.24 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.647 2.231 . . . . 64.42 112.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.7 Cg_endo -69.63 167.87 69.11 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.722 -1.782 . . . . 60.21 112.367 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmt -40.82 -38.24 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.908 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.43 69.58 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.14 111.136 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.74 99.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 60.05 111.164 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -109.77 115.58 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.25 110.944 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.3 pt -97.52 135.96 30.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 74.12 111.157 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.21 115.59 19.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.877 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.25 171.99 12.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 75.42 110.817 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -85.01 1.4 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 70.22 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 75.0 110.802 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.532 -0.227 . . . . 65.02 112.532 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -115.66 141.43 48.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 74.51 110.891 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -146.51 147.41 31.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.89 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.7 pt -143.08 151.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 71.33 111.111 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -107.99 141.5 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.0 158.25 37.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 73.12 111.17 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.515 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.78 143.85 52.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.588 2.192 . . . . 71.33 112.362 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.515 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.71 168.23 68.04 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 -1.805 . . . . 73.14 112.381 -0.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ptp -41.45 -37.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.81 69.47 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.76 99.48 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.53 111.107 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.71 144.42 51.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.8 tt -128.35 125.49 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 71.45 111.141 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.9 m -112.54 115.51 28.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 74.33 110.883 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.37 177.67 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 75.5 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 p -85.06 1.29 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 64.02 110.872 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.864 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.22 0 N-CA-C 112.488 -0.245 . . . . 75.14 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -108.52 142.65 38.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 70.01 110.818 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -149.6 151.37 33.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.822 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.2 pp -151.2 163.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 72.44 111.072 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -113.19 137.96 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.9 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.2 158.2 36.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 73.24 111.05 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.523 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.17 52.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.587 2.191 . . . . 65.24 112.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.72 168.56 66.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 -1.801 . . . . 73.44 112.374 -0.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.0 mtt -41.42 -37.2 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 74.41 110.843 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.85 69.52 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 52.15 111.068 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.16 98.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 74.44 111.165 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.02 117.03 28.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 74.13 110.849 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.7 mm -92.34 118.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 70.33 111.165 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.9 m -120.86 132.29 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -92.02 177.92 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.2 110.919 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -84.9 1.5 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.906 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 61.01 110.808 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 73.43 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -51.9 145.74 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 74.23 110.826 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.8 m -137.85 166.56 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.899 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 pp -142.01 144.63 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 53.23 111.131 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 132.4 45.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.914 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.23 157.43 37.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 75.11 111.206 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.535 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.72 144.1 53.14 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.693 2.262 . . . . 74.45 112.383 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.74 168.09 68.65 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.759 -1.767 . . . . 62.22 112.355 -0.028 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.9 ttm -41.38 -37.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.849 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.47 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 72.35 111.155 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.2 96.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 65.25 111.078 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -124.82 119.46 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 73.32 110.838 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.8 mp -98.22 123.85 50.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 74.14 111.108 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.1 m -108.94 117.01 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 52.32 110.865 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.77 -178.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 74.21 110.816 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -60.48 -56.18 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 73.44 110.822 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.469 -0.252 . . . . 41.25 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -114.42 140.37 48.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 65.22 110.882 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.91 139.52 24.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.6 pt -146.58 162.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 73.31 111.2 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -97.64 141.73 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 70.51 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -145.07 158.2 52.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 75.34 111.165 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.531 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 75.35 112.368 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.531 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.83 167.71 70.29 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 -1.781 . . . . 74.32 112.292 0.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttt -40.81 -38.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 65.14 110.948 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.46 69.56 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 55.42 111.163 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.59 101.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.179 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 116.21 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -97.6 134.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 75.32 111.147 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.03 115.65 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.867 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.91 172.85 11.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 73.53 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -85.01 1.29 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.908 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.529 . . . . 75.31 110.761 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.374 -0.29 . . . . 62.03 112.374 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -51.67 145.65 8.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.72 0.295 . . . . 72.52 110.988 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.5 m -138.64 170.57 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 70.3 110.909 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.59 145.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -100.8 133.07 45.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.908 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.16 157.53 37.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 74.41 111.153 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.534 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.79 143.88 52.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 75.24 112.39 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.0 Cg_endo -69.82 168.15 68.73 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 -1.809 . . . . 71.13 112.38 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mmt -41.66 -36.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 71.11 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.96 69.61 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 62.32 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.28 97.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 55.14 111.148 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -124.43 118.44 26.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mm -97.78 124.41 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 71.11 111.184 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.3 m -111.41 121.31 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 72.23 110.822 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -178.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 74.04 110.889 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -59.9 -55.82 29.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 62.22 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.54 110.869 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.548 -0.221 . . . . 74.34 112.548 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -113.11 141.5 46.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 72.23 110.772 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m -147.63 142.25 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 73.32 110.861 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pt -145.24 160.66 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.54 111.133 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.56 141.35 32.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 74.23 110.972 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -145.32 157.94 52.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 73.41 111.159 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.4 Cg_endo -69.74 143.33 50.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.7 2.266 . . . . 70.32 112.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.75 167.43 71.04 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.787 -1.755 . . . . 72.35 112.291 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 tpt -40.76 -38.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 54.24 110.846 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 69.54 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 72.23 111.121 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.2 101.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.119 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -108.97 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 53.03 110.857 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 7.0 tp -101.21 127.29 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.24 111.173 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.3 m -116.81 161.51 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.31 110.932 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -117.77 176.5 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 71.01 110.848 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -84.94 1.48 47.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.841 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 73.32 110.881 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.549 -0.22 . . . . 63.02 112.549 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -56.86 145.23 30.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 72.11 110.855 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -142.55 168.2 20.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -147.63 146.75 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 75.21 111.117 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -97.35 140.38 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.956 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.0 158.32 36.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.758 . . . . 73.21 111.109 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.526 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.81 143.92 52.16 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 72.23 112.302 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.526 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.7 Cg_endo -69.78 168.31 68.01 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.72 -1.783 . . . . 74.13 112.29 -0.004 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 tpt -41.06 -37.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.933 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 69.44 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 74.34 111.118 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.89 99.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 73.45 111.188 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -123.62 119.19 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.843 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 tt -105.34 130.38 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.16 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -107.25 161.13 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 75.5 110.966 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.817 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -61.25 -46.57 89.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.814 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 71.4 110.824 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.515 -0.234 . . . . 62.43 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -111.32 141.13 45.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 74.31 110.851 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.5 m -147.07 143.91 28.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.855 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.3 pt -144.79 155.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 73.42 111.159 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -98.28 141.58 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.932 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.75 158.21 46.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.598 0.713 . . . . 75.44 111.179 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.53 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.76 143.59 51.34 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 2.222 . . . . 72.14 112.364 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.6 Cg_endo -69.71 167.93 69.15 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 -1.801 . . . . 73.2 112.389 -0.093 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.3 mtm -41.01 -38.01 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 64.5 110.803 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 69.6 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 73.43 111.097 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.72 100.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 72.23 111.184 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -115.18 116.87 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.939 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 pt -103.32 134.37 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.12 111.147 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m -120.53 161.46 21.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.925 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.29 178.76 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.42 110.854 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -85.03 1.51 47.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 74.14 110.861 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 64.13 110.908 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.44 -0.264 . . . . 72.13 112.44 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -116.04 141.64 47.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 72.44 110.756 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -147.2 143.6 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 52.33 110.897 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.61 164.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 74.04 111.152 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -102.49 141.52 35.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.54 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.82 158.06 53.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.709 0.766 . . . . 75.23 111.044 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.533 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.82 143.39 50.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.28 . . . . 73.21 112.292 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.78 167.62 70.45 Favored 'Cis proline' 0 C--N 1.343 0.258 0 C-N-CA 122.63 -1.821 . . . . 74.04 112.336 -0.046 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.1 ptp -40.81 -38.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 72.23 110.949 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.55 69.74 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.087 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.42 100.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 73.2 111.111 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.35 114.65 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 73.01 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 tp -99.84 123.22 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.01 111.144 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.4 m -112.21 161.55 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 73.14 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.51 174.24 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.896 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 p -84.96 1.38 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.815 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.85 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.552 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.0 t-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.876 0.37 . . . . 63.22 110.813 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.2 m -146.94 152.47 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.552 HG23 ' NE2' ' A' ' 2' ' ' HIS . 3.9 pt -139.48 147.66 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.102 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -110.53 134.61 52.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.99 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.17 158.28 36.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.627 0.727 . . . . 71.33 111.11 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.592 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.75 144.8 55.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 52.01 112.384 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.592 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.85 169.83 61.83 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.62 -1.825 . . . . 70.02 112.283 0.001 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -41.6 -37.57 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.851 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.9 69.13 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.419 . . . . 64.31 111.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.82 94.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.198 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -129.93 122.86 29.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.932 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.439 HD12 HD11 ' A' ' 4' ' ' ILE . 63.9 mt -93.96 112.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 71.14 111.07 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -105.68 115.54 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 64.42 110.851 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.19 -179.61 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.869 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -84.69 -23.52 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.902 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.873 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.54 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.7 t-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.818 0.342 . . . . 74.34 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.2 m -147.06 153.8 40.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.54 HG23 ' NE2' ' A' ' 2' ' ' HIS . 4.5 pt -140.13 160.57 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.092 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -117.0 135.81 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.18 158.04 36.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.724 0.773 . . . . 75.34 111.055 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.597 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.29 52.95 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 72.45 112.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.597 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.4 Cg_endo -69.78 168.57 67.09 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 -1.792 . . . . 62.23 112.305 -0.054 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 mmm -41.53 -37.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.83 69.42 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 40.04 111.105 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.02 99.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 64.32 111.136 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 128.19 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 64.14 110.812 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mm -104.9 118.09 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 71.41 111.157 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m -111.26 145.03 39.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 74.1 110.93 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -104.28 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -84.93 1.37 47.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.834 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 70.34 110.888 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 65.2 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.67 161.84 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 62.22 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.6 149.24 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.01 111.117 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -110.07 135.0 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.893 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.23 158.22 36.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.674 0.75 . . . . 74.02 111.149 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.585 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.8 144.61 54.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.728 2.285 . . . . 75.25 112.347 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.585 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.9 Cg_endo -69.8 169.72 62.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 -1.812 . . . . 73.14 112.294 0.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mtp -41.95 -36.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.892 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.15 69.22 7.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.12 111.072 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.73 96.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 75.22 111.179 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -126.76 119.19 26.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.864 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.88 117.33 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 71.24 111.171 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -106.7 155.39 19.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 64.32 110.835 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.5 176.9 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.931 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -84.87 1.37 47.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 54.43 110.83 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.516 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.4 t-80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.811 0.339 . . . . 70.04 110.912 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -147.84 149.91 33.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.816 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.516 HG23 ' NE2' ' A' ' 2' ' ' HIS . 7.8 pt -142.14 165.01 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.33 111.135 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -115.15 138.53 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.16 158.12 36.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 71.44 111.204 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.588 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.68 144.14 53.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.786 2.324 . . . . 73.23 112.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.588 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.77 168.92 65.81 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 -1.813 . . . . 74.04 112.306 -0.065 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 30.2 ttp -41.63 -37.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 53.11 110.911 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.98 69.46 7.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.088 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.19 96.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 63.23 111.131 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -113.47 116.7 30.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 71.43 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -92.2 117.31 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 71.55 111.114 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.47 158.25 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.45 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.03 -179.32 3.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.909 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.9 p -80.66 -24.27 39.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 73.32 110.914 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 64.52 110.85 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.819 0.343 . . . . 74.31 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.8 m -141.12 162.0 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 63.54 110.887 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.25 142.52 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.184 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -101.63 132.35 47.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.21 157.57 37.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 62.23 111.233 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.605 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.69 144.21 53.68 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.682 2.254 . . . . 62.44 112.369 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.605 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.74 168.3 67.88 Favored 'Cis proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.823 -1.74 . . . . 72.24 112.326 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mmm -41.32 -37.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.894 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.76 69.43 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.33 111.081 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.35 100.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 74.14 111.131 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -131.73 127.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 74.15 110.842 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mt -105.88 117.48 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 73.41 111.112 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.4 m -103.35 115.7 31.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.89 172.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -55.16 -41.24 71.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 74.31 110.923 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.448 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.2 t-80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.831 0.348 . . . . 64.4 110.861 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.9 m -136.98 163.68 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.4 110.874 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.448 HG23 ' NE2' ' A' ' 2' ' ' HIS . 7.4 pt -141.64 146.49 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 70.11 111.083 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.45 135.42 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 61.25 110.961 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.17 157.97 36.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 70.11 111.157 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.595 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.0 Cg_endo -69.79 144.19 53.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 73.35 112.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.595 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.0 Cg_endo -69.78 168.37 67.8 Favored 'Cis proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.76 -1.767 . . . . 74.24 112.291 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.8 tpt -41.28 -37.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.917 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.78 69.45 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.0 111.129 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.57 99.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 64.45 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.17 122.79 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 74.21 110.894 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 mm -103.83 127.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 73.51 111.08 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.21 117.17 33.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 75.45 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.17 -178.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.2 110.865 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -61.83 -55.85 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.953 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 42.15 110.79 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.483 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.4 t-80 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.828 0.347 . . . . 74.41 110.843 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -146.58 146.81 30.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 62.33 110.839 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.483 HG23 ' NE2' ' A' ' 2' ' ' HIS . 13.2 pt -143.33 148.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 74.2 111.056 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -105.44 141.2 37.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.905 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 m -150.04 158.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 71.51 111.13 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.574 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.63 143.98 53.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 73.22 112.356 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.574 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.63 168.32 67.44 Favored 'Cis proline' 0 C--N 1.343 0.237 0 C-N-CA 122.661 -1.808 . . . . 74.33 112.377 -0.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 tpt -41.26 -37.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.895 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.86 69.59 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.085 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.82 97.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 75.14 111.202 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -130.6 138.22 50.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 61.45 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 tt -120.64 125.71 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 73.25 111.123 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.5 m -112.64 115.61 28.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 62.04 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.41 176.39 4.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -84.8 1.31 47.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.926 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 64.23 110.832 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.474 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.2 t-80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.347 . . . . 74.41 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.6 m -138.44 164.58 29.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.948 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.474 HG23 ' NE2' ' A' ' 2' ' ' HIS . 4.7 pt -144.01 148.26 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.122 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.13 133.75 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 61.05 110.942 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.11 157.62 37.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.714 . . . . 74.23 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.591 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.6 Cg_endo -69.85 143.89 51.84 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.737 2.291 . . . . 74.14 112.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.591 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.72 167.85 69.44 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.742 -1.774 . . . . 75.4 112.308 -0.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.6 ttt -41.24 -37.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.882 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.75 69.65 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.02 99.14 0.96 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 64.11 111.171 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.9 113.61 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 72.22 110.843 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mm -92.26 123.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 65.34 111.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.0 m -110.95 120.65 43.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 51.34 110.853 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.34 -178.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.843 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -60.31 -55.46 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.917 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.879 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.488 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.859 0.361 . . . . 73.22 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -146.5 146.93 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 44.13 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.488 HG23 ' NE2' ' A' ' 2' ' ' HIS . 12.5 pt -143.41 152.17 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.03 111.131 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -107.43 141.9 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 54.31 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.99 158.27 37.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 51.4 111.134 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 143.79 52.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 74.34 112.409 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.576 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.5 Cg_endo -69.83 168.35 68.06 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 -1.788 . . . . 61.21 112.295 -0.013 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -41.36 -37.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.13 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.92 69.68 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 74.4 111.094 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -164.08 99.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.185 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.52 138.07 50.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 54.03 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 tp -120.89 124.92 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 64.23 111.221 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -112.25 115.61 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.947 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.39 176.48 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 55.21 110.874 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 t -84.95 1.31 47.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 62.51 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 75.14 110.88 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.502 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.5 t-80 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.821 0.344 . . . . 73.3 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.0 m -142.83 159.24 42.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 55.11 110.829 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.502 HG23 ' NE2' ' A' ' 2' ' ' HIS . 11.7 pt -140.43 155.25 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.2 111.063 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -104.54 133.74 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.03 110.856 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 m -150.21 157.48 37.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 62.01 111.085 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.3 Cg_endo -69.74 143.81 52.15 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.659 2.239 . . . . 35.12 112.335 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.594 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.3 Cg_endo -69.75 167.87 69.49 Favored 'Cis proline' 0 N--CA 1.466 -0.119 0 C-N-CA 122.7 -1.792 . . . . 64.34 112.278 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.59 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 53.53 111.148 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.02 100.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 71.13 111.143 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.45 115.27 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 64.42 110.923 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.8 mm -92.19 119.17 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 70.34 111.139 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.8 m -110.4 124.72 52.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.2 179.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.947 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 p -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.88 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.817 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.759 0.314 . . . . 65.1 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.1 m -147.21 138.13 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 53.14 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.0 pt -147.16 163.77 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.113 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -98.97 141.9 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 71.41 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.42 158.22 54.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.559 0.695 . . . . 74.13 111.222 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.597 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.94 143.53 50.24 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.647 2.231 . . . . 64.42 112.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.597 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.7 Cg_endo -69.63 167.87 69.11 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.722 -1.782 . . . . 60.21 112.367 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmt -40.82 -38.24 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.908 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.43 69.58 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 50.11 111.136 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.74 99.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 60.05 111.164 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -109.77 115.58 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.25 110.944 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.3 pt -97.52 135.96 30.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.157 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.21 115.59 19.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.877 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.25 171.99 12.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.817 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -85.01 1.4 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 70.22 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 72.12 110.802 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.49 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.0 t-80 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 72.54 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -146.51 147.41 31.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.89 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.49 HG23 ' NE2' ' A' ' 2' ' ' HIS . 12.7 pt -143.08 151.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 71.33 111.111 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -107.99 141.5 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.0 158.25 37.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 73.12 111.17 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.577 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.78 143.85 52.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.588 2.192 . . . . 71.33 112.362 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.577 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.71 168.23 68.04 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 -1.805 . . . . 73.14 112.381 -0.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ptp -41.45 -37.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.81 69.47 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.76 99.48 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.53 111.107 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.71 144.42 51.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.8 tt -128.35 125.49 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 71.35 111.141 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.9 m -112.54 115.51 28.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 61.02 110.883 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.37 177.67 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 75.5 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 p -85.06 1.29 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 61.12 110.872 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.864 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.94 0.4 . . . . 62.23 110.818 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -149.6 151.37 33.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.822 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.436 HD11 ' HB ' ' A' ' 13' ' ' ILE . 1.2 pp -151.2 163.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 72.44 111.072 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -113.19 137.96 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.9 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.2 158.2 36.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 73.24 111.05 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.585 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.17 52.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.587 2.191 . . . . 65.24 112.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.585 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.72 168.56 66.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 -1.801 . . . . 73.44 112.374 -0.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.0 mtt -41.42 -37.2 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 73.5 110.843 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.85 69.52 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 52.15 111.068 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.16 98.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 54.42 111.165 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.02 117.03 28.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 74.13 110.849 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.436 ' HB ' HD11 ' A' ' 4' ' ' ILE . 50.7 mm -92.34 118.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 70.33 111.165 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.9 m -120.86 132.29 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -92.02 177.92 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.2 110.919 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -84.9 1.5 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.906 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 61.01 110.808 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.883 0.373 . . . . 74.23 110.826 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.8 m -137.85 166.56 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.899 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 13' ' ' ILE . 2.7 pp -142.01 144.63 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 53.23 111.131 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 132.4 45.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.914 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.23 157.43 37.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 75.11 111.206 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.601 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.72 144.1 53.14 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.693 2.262 . . . . 74.45 112.383 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.601 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.74 168.09 68.65 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.759 -1.767 . . . . 62.22 112.355 -0.028 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.9 ttm -41.38 -37.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.849 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.47 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 72.35 111.155 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.2 96.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 65.25 111.078 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -124.82 119.46 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 73.32 110.838 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.771 HD13 HD11 ' A' ' 4' ' ' ILE . 4.8 mp -98.22 123.85 50.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 71.11 111.108 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.1 m -108.94 117.01 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 52.32 110.865 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.77 -178.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 70.33 110.816 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -60.48 -56.18 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.822 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.84 0.352 . . . . 64.24 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.91 139.52 24.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.6 pt -146.58 162.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.3 111.2 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -97.64 141.73 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 70.51 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -145.07 158.2 52.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 74.54 111.165 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.598 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 75.35 112.368 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.598 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.83 167.71 70.29 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 -1.781 . . . . 74.32 112.292 0.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttt -40.81 -38.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 64.54 110.948 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.46 69.56 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 55.42 111.163 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.59 101.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.179 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 116.21 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -97.6 134.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 64.32 111.147 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.03 115.65 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.32 110.867 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.91 172.85 11.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 73.53 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -85.01 1.29 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.908 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.529 . . . . 75.31 110.761 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.72 0.295 . . . . 63.33 110.988 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.5 m -138.64 170.57 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 70.3 110.909 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.59 145.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -100.8 133.07 45.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.908 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.16 157.53 37.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 42.22 111.153 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.603 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.79 143.88 52.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 75.24 112.39 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.603 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.0 Cg_endo -69.82 168.15 68.73 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 -1.809 . . . . 71.13 112.38 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mmt -41.66 -36.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 64.33 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.96 69.61 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 62.32 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.28 97.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 52.11 111.148 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -124.43 118.44 26.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mm -97.78 124.41 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 61.02 111.184 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.3 m -111.41 121.31 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 72.23 110.822 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -178.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 74.04 110.889 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -59.9 -55.82 29.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 54.33 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.869 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.422 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.888 0.375 . . . . 72.23 110.772 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m -147.63 142.25 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.861 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.483 HG13 HG23 ' A' ' 13' ' ' ILE . 1.1 pt -145.24 160.66 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 62.3 111.133 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.56 141.35 32.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 72.04 110.972 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -145.32 157.94 52.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 65.41 111.159 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.599 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.4 Cg_endo -69.74 143.33 50.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.7 2.266 . . . . 70.32 112.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.599 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.75 167.43 71.04 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.787 -1.755 . . . . 61.32 112.291 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 tpt -40.76 -38.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 54.24 110.846 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 69.54 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 72.23 111.121 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.2 101.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.119 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -108.97 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 53.03 110.857 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.483 HG23 HG13 ' A' ' 4' ' ' ILE . 7.0 tp -101.21 127.29 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.24 111.173 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.3 m -116.81 161.51 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.31 110.932 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -117.77 176.5 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 54.24 110.848 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -84.94 1.48 47.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.841 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 73.32 110.881 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.915 0.388 . . . . 63.43 110.855 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -142.55 168.2 20.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -147.63 146.75 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 61.14 111.117 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -97.35 140.38 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.956 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.0 158.32 36.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.758 . . . . 73.21 111.109 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.581 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.81 143.92 52.16 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 70.11 112.302 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.581 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.7 Cg_endo -69.78 168.31 68.01 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.72 -1.783 . . . . 74.13 112.29 -0.004 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 tpt -41.06 -37.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.933 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 69.44 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 74.34 111.118 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.89 99.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.04 111.188 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -123.62 119.19 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.843 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 tt -105.34 130.38 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.16 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -107.25 161.13 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.05 110.966 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.817 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -61.25 -46.57 89.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.814 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 61.54 110.824 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.445 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.9 t-80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 74.31 110.851 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.5 m -147.07 143.91 28.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.855 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.445 HG23 ' NE2' ' A' ' 2' ' ' HIS . 13.3 pt -144.79 155.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 72.41 111.159 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -98.28 141.58 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.932 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.75 158.21 46.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.598 0.713 . . . . 62.32 111.179 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.602 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.76 143.59 51.34 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 2.222 . . . . 72.14 112.364 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.602 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.6 Cg_endo -69.71 167.93 69.15 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 -1.801 . . . . 73.2 112.389 -0.093 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.3 mtm -41.01 -38.01 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 64.5 110.803 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 69.6 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 70.24 111.097 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.72 100.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 72.23 111.184 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -115.18 116.87 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.939 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 pt -103.32 134.37 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 72.35 111.147 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m -120.53 161.46 21.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 54.33 110.925 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.29 178.76 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.854 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -85.03 1.51 47.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 60.32 110.861 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 64.13 110.908 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' HIS . . . . . 0.444 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.914 0.388 . . . . 72.42 110.756 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -147.2 143.6 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 52.33 110.897 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.576 HG13 HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -144.61 164.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 72.34 111.152 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -102.49 141.52 35.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.82 158.06 53.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.709 0.766 . . . . 75.23 111.044 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.6 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.82 143.39 50.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.28 . . . . 73.21 112.292 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PRO . . . . . 0.6 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.78 167.62 70.45 Favored 'Cis proline' 0 C--N 1.343 0.258 0 C-N-CA 122.63 -1.821 . . . . 74.04 112.336 -0.046 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.1 ptp -40.81 -38.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 61.33 110.949 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.55 69.74 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.087 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.42 100.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 72.23 111.111 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.35 114.65 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 54.3 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.576 HG23 HG13 ' A' ' 4' ' ' ILE . 6.0 tp -99.84 123.22 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.01 111.144 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.4 m -112.21 161.55 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 73.14 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.51 174.24 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.896 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 p -84.96 1.38 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.815 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.85 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.517 -0.233 . . . . 45.03 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.552 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.0 t-80 -117.2 144.59 44.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 63.22 110.813 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.2 m -146.94 152.47 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.552 HG23 ' NE2' ' A' ' 2' ' ' HIS . 3.9 pt -139.48 147.66 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.102 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -110.53 134.61 52.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.99 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.17 158.28 36.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.627 0.727 . . . . 71.33 111.11 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.592 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.75 144.8 55.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 52.01 112.384 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.592 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.85 169.83 61.83 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.62 -1.825 . . . . 70.02 112.283 0.001 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -41.6 -37.57 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.851 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.9 69.13 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.419 . . . . 64.31 111.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.82 94.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.198 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -129.93 122.86 29.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.932 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.439 HD12 HD11 ' A' ' 4' ' ' ILE . 63.9 mt -93.96 112.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 71.14 111.07 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -105.68 115.54 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 64.42 110.851 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.19 -179.61 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.869 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -84.69 -23.52 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.902 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.873 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.482 -0.247 . . . . 43.02 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.54 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.7 t-80 -114.74 144.79 42.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 74.34 110.894 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.2 m -147.06 153.8 40.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.54 HG23 ' NE2' ' A' ' 2' ' ' HIS . 4.5 pt -140.13 160.57 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.092 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -117.0 135.81 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.18 158.04 36.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.724 0.773 . . . . 75.34 111.055 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.597 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.29 52.95 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 72.45 112.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.4 Cg_endo -69.78 168.57 67.09 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 -1.792 . . . . 62.23 112.305 -0.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 mmm -41.53 -37.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.83 69.42 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 40.04 111.105 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.02 99.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 64.32 111.136 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 128.19 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 64.14 110.812 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mm -104.9 118.09 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 71.41 111.157 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m -111.26 145.03 39.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 74.1 110.93 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -104.28 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -84.93 1.37 47.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.834 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 70.34 110.888 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.453 -0.259 . . . . 63.01 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -117.04 144.74 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 65.2 110.822 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.67 161.84 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 62.22 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.6 149.24 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.01 111.117 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -110.07 135.0 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.893 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.23 158.22 36.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.674 0.75 . . . . 74.02 111.149 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.585 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.8 144.61 54.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.728 2.285 . . . . 75.25 112.347 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.9 Cg_endo -69.8 169.72 62.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 -1.812 . . . . 73.14 112.294 0.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mtp -41.95 -36.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.892 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.15 69.22 7.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.12 111.072 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.73 96.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 75.22 111.179 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -126.76 119.19 26.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.864 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.88 117.33 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 71.24 111.171 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -106.7 155.39 19.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 64.32 110.835 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.5 176.9 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.931 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -84.87 1.37 47.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 54.43 110.83 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.476 -0.25 . . . . 41.42 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.516 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.4 t-80 -113.29 144.02 43.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 70.04 110.912 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -147.84 149.91 33.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.816 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.516 HG23 ' NE2' ' A' ' 2' ' ' HIS . 7.8 pt -142.14 165.01 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.33 111.135 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -115.15 138.53 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.16 158.12 36.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 71.44 111.204 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.588 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.68 144.14 53.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.786 2.324 . . . . 73.23 112.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.588 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.77 168.92 65.81 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 -1.813 . . . . 74.04 112.306 -0.065 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 30.2 ttp -41.63 -37.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 53.11 110.911 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.98 69.46 7.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.088 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.19 96.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 63.23 111.131 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -113.47 116.7 30.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 71.43 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -92.2 117.31 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 71.55 111.114 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.47 158.25 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.45 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.03 -179.32 3.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.909 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.9 p -80.66 -24.27 39.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 73.32 110.914 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 64.52 110.85 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.43 -0.268 . . . . 32.11 112.43 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -53.98 145.39 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.343 . . . . 74.31 110.842 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.8 m -141.12 162.0 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 63.54 110.887 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.25 142.52 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.184 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -101.63 132.35 47.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.21 157.57 37.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 62.23 111.233 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.605 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.69 144.21 53.68 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.682 2.254 . . . . 62.44 112.369 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.605 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.74 168.3 67.88 Favored 'Cis proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.823 -1.74 . . . . 72.24 112.326 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mmm -41.32 -37.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.894 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.76 69.43 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.33 111.081 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.35 100.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 74.14 111.131 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -131.73 127.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 74.15 110.842 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mt -105.88 117.48 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 73.41 111.112 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.4 m -103.35 115.7 31.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.89 172.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -55.16 -41.24 71.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 74.31 110.923 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.425 -0.27 . . . . 64.41 112.425 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.448 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.2 t-80 -51.53 145.68 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 64.4 110.861 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.9 m -136.98 163.68 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.4 110.874 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.448 HG23 ' NE2' ' A' ' 2' ' ' HIS . 7.4 pt -141.64 146.49 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 70.11 111.083 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.45 135.42 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 61.25 110.961 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.17 157.97 36.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 70.11 111.157 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.595 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.0 Cg_endo -69.79 144.19 53.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 73.35 112.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.0 Cg_endo -69.78 168.37 67.8 Favored 'Cis proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.76 -1.767 . . . . 74.24 112.291 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.8 tpt -41.28 -37.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.917 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.78 69.45 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.0 111.129 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.57 99.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 64.45 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.17 122.79 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 74.21 110.894 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 mm -103.83 127.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 73.51 111.08 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.21 117.17 33.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 75.45 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.17 -178.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.2 110.865 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -61.83 -55.85 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.953 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 42.15 110.79 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.506 -0.238 . . . . 65.35 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.483 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.4 t-80 -115.36 140.84 48.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 74.41 110.843 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -146.58 146.81 30.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 62.33 110.839 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.483 HG23 ' NE2' ' A' ' 2' ' ' HIS . 13.2 pt -143.33 148.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 74.2 111.056 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -105.44 141.2 37.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.905 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 m -150.04 158.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 71.51 111.13 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.574 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.63 143.98 53.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 73.22 112.356 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.574 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.63 168.32 67.44 Favored 'Cis proline' 0 C--N 1.343 0.237 0 C-N-CA 122.661 -1.808 . . . . 74.33 112.377 -0.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 tpt -41.26 -37.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.895 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.86 69.59 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.085 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.82 97.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 75.14 111.202 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -130.6 138.22 50.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 61.45 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 tt -120.64 125.71 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 73.25 111.123 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.5 m -112.64 115.61 28.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 62.04 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.41 176.39 4.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -84.8 1.31 47.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.926 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 64.23 110.832 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.565 -0.214 . . . . 72.42 112.565 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.474 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.2 t-80 -51.56 145.63 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 74.41 110.857 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.6 m -138.44 164.58 29.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.948 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.474 HG23 ' NE2' ' A' ' 2' ' ' HIS . 4.7 pt -144.01 148.26 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.122 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.13 133.75 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 61.05 110.942 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.11 157.62 37.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.714 . . . . 74.23 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.591 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.6 Cg_endo -69.85 143.89 51.84 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.737 2.291 . . . . 74.14 112.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.591 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.72 167.85 69.44 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.742 -1.774 . . . . 75.4 112.308 -0.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.6 ttt -41.24 -37.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.882 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.75 69.65 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.02 99.14 0.96 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 64.11 111.171 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.9 113.61 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 72.22 110.843 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mm -92.26 123.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 65.34 111.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.0 m -110.95 120.65 43.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 51.34 110.853 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.34 -178.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.843 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -60.31 -55.46 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.917 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.879 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.495 -0.242 . . . . 42.33 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.488 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 -115.73 141.26 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 73.22 110.923 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -146.5 146.93 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 44.13 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.488 HG23 ' NE2' ' A' ' 2' ' ' HIS . 12.5 pt -143.41 152.17 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.03 111.131 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -107.43 141.9 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 54.31 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.99 158.27 37.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 51.4 111.134 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 143.79 52.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 74.34 112.409 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.576 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.5 Cg_endo -69.83 168.35 68.06 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 -1.788 . . . . 61.21 112.295 -0.013 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -41.36 -37.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.13 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.92 69.68 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 74.4 111.094 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -164.08 99.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.185 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.52 138.07 50.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 54.03 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 tp -120.89 124.92 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 64.23 111.221 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -112.25 115.61 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.947 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.39 176.48 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 55.21 110.874 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 t -84.95 1.31 47.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 62.51 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 75.14 110.88 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.548 -0.221 . . . . 74.41 112.548 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.502 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.5 t-80 -51.65 145.28 9.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.344 . . . . 73.3 110.92 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.0 m -142.83 159.24 42.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 55.11 110.829 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.502 HG23 ' NE2' ' A' ' 2' ' ' HIS . 11.7 pt -140.43 155.25 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.2 111.063 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -104.54 133.74 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.03 110.856 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 m -150.21 157.48 37.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 62.01 111.085 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.3 Cg_endo -69.74 143.81 52.15 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.659 2.239 . . . . 35.12 112.335 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.594 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.3 Cg_endo -69.75 167.87 69.49 Favored 'Cis proline' 0 N--CA 1.466 -0.119 0 C-N-CA 122.7 -1.792 . . . . 64.34 112.278 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.59 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 53.53 111.148 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.02 100.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 71.13 111.143 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.45 115.27 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 64.42 110.923 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.8 mm -92.19 119.17 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 70.34 111.139 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.8 m -110.4 124.72 52.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.2 179.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.947 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 p -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.88 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.817 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.526 -0.23 . . . . 75.4 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -114.37 140.29 48.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 65.1 110.875 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.1 m -147.21 138.13 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 53.14 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.0 pt -147.16 163.77 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.113 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -98.97 141.9 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 71.41 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.42 158.22 54.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.559 0.695 . . . . 74.13 111.222 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.597 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.94 143.53 50.24 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.647 2.231 . . . . 64.42 112.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.7 Cg_endo -69.63 167.87 69.11 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.722 -1.782 . . . . 60.21 112.367 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmt -40.82 -38.24 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.908 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.43 69.58 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 50.11 111.136 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.74 99.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 60.05 111.164 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -109.77 115.58 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.25 110.944 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.3 pt -97.52 135.96 30.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.157 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.21 115.59 19.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.877 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.25 171.99 12.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.817 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -85.01 1.4 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 70.22 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 72.12 110.802 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.532 -0.227 . . . . 65.02 112.532 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.49 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.0 t-80 -115.66 141.43 48.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 72.54 110.891 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -146.51 147.41 31.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.89 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.49 HG23 ' NE2' ' A' ' 2' ' ' HIS . 12.7 pt -143.08 151.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 71.33 111.111 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -107.99 141.5 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.0 158.25 37.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 73.12 111.17 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.577 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.78 143.85 52.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.588 2.192 . . . . 71.33 112.362 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.577 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.71 168.23 68.04 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 -1.805 . . . . 73.14 112.381 -0.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ptp -41.45 -37.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.81 69.47 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.76 99.48 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.53 111.107 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.71 144.42 51.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.8 tt -128.35 125.49 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 71.35 111.141 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.9 m -112.54 115.51 28.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 61.02 110.883 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.37 177.67 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 75.5 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 p -85.06 1.29 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 61.12 110.872 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.864 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.22 0 N-CA-C 112.488 -0.245 . . . . 75.14 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -108.52 142.65 38.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 62.23 110.818 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -149.6 151.37 33.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.822 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.436 HD11 ' HB ' ' A' ' 13' ' ' ILE . 1.2 pp -151.2 163.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 72.44 111.072 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -113.19 137.96 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.9 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.2 158.2 36.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 73.24 111.05 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.585 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.17 52.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.587 2.191 . . . . 65.24 112.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.72 168.56 66.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 -1.801 . . . . 73.44 112.374 -0.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.0 mtt -41.42 -37.2 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 73.5 110.843 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.85 69.52 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 52.15 111.068 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.16 98.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 54.42 111.165 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.02 117.03 28.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 74.13 110.849 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.436 ' HB ' HD11 ' A' ' 4' ' ' ILE . 50.7 mm -92.34 118.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 70.33 111.165 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.9 m -120.86 132.29 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -92.02 177.92 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.2 110.919 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -84.9 1.5 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.906 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 61.01 110.808 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 73.43 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -51.9 145.74 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 74.23 110.826 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.8 m -137.85 166.56 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.899 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 13' ' ' ILE . 2.7 pp -142.01 144.63 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 53.23 111.131 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 132.4 45.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.914 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.23 157.43 37.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 75.11 111.206 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.601 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.72 144.1 53.14 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.693 2.262 . . . . 74.45 112.383 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.601 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.74 168.09 68.65 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.759 -1.767 . . . . 62.22 112.355 -0.028 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.9 ttm -41.38 -37.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.849 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.47 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 72.35 111.155 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.2 96.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 65.25 111.078 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -124.82 119.46 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 73.32 110.838 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.771 HD13 HD11 ' A' ' 4' ' ' ILE . 4.8 mp -98.22 123.85 50.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 71.11 111.108 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.1 m -108.94 117.01 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 52.32 110.865 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.77 -178.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 70.33 110.816 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -60.48 -56.18 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.822 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.469 -0.252 . . . . 32.25 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -114.42 140.37 48.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 64.24 110.882 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.91 139.52 24.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.6 pt -146.58 162.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.3 111.2 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -97.64 141.73 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 70.51 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -145.07 158.2 52.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 74.54 111.165 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.598 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 75.35 112.368 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.598 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.83 167.71 70.29 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 -1.781 . . . . 74.32 112.292 0.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttt -40.81 -38.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 64.54 110.948 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.46 69.56 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 55.42 111.163 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.59 101.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.179 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 116.21 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -97.6 134.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 64.32 111.147 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.03 115.65 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.32 110.867 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.91 172.85 11.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 73.53 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -85.01 1.29 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.908 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.529 . . . . 75.31 110.761 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.374 -0.29 . . . . 62.03 112.374 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -51.67 145.65 8.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.72 0.295 . . . . 63.33 110.988 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.5 m -138.64 170.57 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 70.3 110.909 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.59 145.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -100.8 133.07 45.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.908 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.16 157.53 37.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 42.22 111.153 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.603 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.79 143.88 52.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 75.24 112.39 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.603 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.0 Cg_endo -69.82 168.15 68.73 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 -1.809 . . . . 71.13 112.38 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mmt -41.66 -36.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 64.33 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.96 69.61 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 62.32 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.28 97.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 52.11 111.148 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -124.43 118.44 26.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mm -97.78 124.41 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 61.02 111.184 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.3 m -111.41 121.31 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 72.23 110.822 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -178.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 74.04 110.889 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -59.9 -55.82 29.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 54.33 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.869 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.548 -0.221 . . . . 74.34 112.548 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.422 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 -113.11 141.5 46.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 72.23 110.772 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m -147.63 142.25 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.861 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.483 HG13 HG23 ' A' ' 13' ' ' ILE . 1.1 pt -145.24 160.66 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 62.3 111.133 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.56 141.35 32.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 72.04 110.972 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -145.32 157.94 52.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 65.41 111.159 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.599 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.4 Cg_endo -69.74 143.33 50.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.7 2.266 . . . . 70.32 112.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.599 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.75 167.43 71.04 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.787 -1.755 . . . . 61.32 112.291 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 tpt -40.76 -38.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 54.24 110.846 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 69.54 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 72.23 111.121 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.2 101.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.119 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -108.97 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 53.03 110.857 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.483 HG23 HG13 ' A' ' 4' ' ' ILE . 7.0 tp -101.21 127.29 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.24 111.173 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.3 m -116.81 161.51 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.31 110.932 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -117.77 176.5 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 54.24 110.848 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -84.94 1.48 47.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.841 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 73.32 110.881 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.549 -0.22 . . . . 63.02 112.549 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -56.86 145.23 30.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 63.43 110.855 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -142.55 168.2 20.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -147.63 146.75 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 61.14 111.117 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -97.35 140.38 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.956 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.0 158.32 36.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.758 . . . . 73.21 111.109 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.581 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.81 143.92 52.16 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 70.11 112.302 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.581 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.7 Cg_endo -69.78 168.31 68.01 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.72 -1.783 . . . . 74.13 112.29 -0.004 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 tpt -41.06 -37.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.933 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 69.44 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 74.34 111.118 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.89 99.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.04 111.188 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -123.62 119.19 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.843 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 tt -105.34 130.38 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.16 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -107.25 161.13 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.05 110.966 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.817 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -61.25 -46.57 89.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.814 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 61.54 110.824 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.515 -0.234 . . . . 62.43 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.445 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.9 t-80 -111.32 141.13 45.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 74.31 110.851 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.5 m -147.07 143.91 28.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.855 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.445 HG23 ' NE2' ' A' ' 2' ' ' HIS . 13.3 pt -144.79 155.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 72.41 111.159 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -98.28 141.58 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.932 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.75 158.21 46.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.598 0.713 . . . . 62.32 111.179 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.602 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.76 143.59 51.34 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 2.222 . . . . 72.14 112.364 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.602 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.6 Cg_endo -69.71 167.93 69.15 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 -1.801 . . . . 73.2 112.389 -0.093 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.3 mtm -41.01 -38.01 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 64.5 110.803 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 69.6 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 70.24 111.097 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.72 100.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 72.23 111.184 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -115.18 116.87 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.939 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 pt -103.32 134.37 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 72.35 111.147 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m -120.53 161.46 21.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 54.33 110.925 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.29 178.76 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.854 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -85.03 1.51 47.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 60.32 110.861 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 64.13 110.908 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.44 -0.264 . . . . 63.15 112.44 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.444 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 -116.04 141.64 47.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 72.42 110.756 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -147.2 143.6 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 52.33 110.897 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.576 HG13 HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -144.61 164.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 72.34 111.152 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -102.49 141.52 35.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.82 158.06 53.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.709 0.766 . . . . 75.23 111.044 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.6 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.82 143.39 50.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.28 . . . . 73.21 112.292 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.6 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.78 167.62 70.45 Favored 'Cis proline' 0 C--N 1.343 0.258 0 C-N-CA 122.63 -1.821 . . . . 74.04 112.336 -0.046 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.1 ptp -40.81 -38.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 61.33 110.949 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.55 69.74 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.087 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.42 100.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 72.23 111.111 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.35 114.65 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 54.3 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.576 HG23 HG13 ' A' ' 4' ' ' ILE . 6.0 tp -99.84 123.22 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.01 111.144 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.4 m -112.21 161.55 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 73.14 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.51 174.24 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.896 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 p -84.96 1.38 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.815 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.85 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.552 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.0 t-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.876 0.37 . . . . 63.22 110.813 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.2 m -146.94 152.47 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.552 HG23 ' NE2' ' A' ' 2' ' ' HIS . 3.9 pt -139.48 147.66 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.102 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -110.53 134.61 52.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.99 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.17 158.28 36.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.627 0.727 . . . . 71.33 111.11 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.592 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.75 144.8 55.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 52.01 112.384 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.592 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.85 169.83 61.83 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.62 -1.825 . . . . 70.02 112.283 0.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -41.6 -37.57 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.851 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.9 69.13 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.419 . . . . 64.31 111.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.82 94.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.198 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -129.93 122.86 29.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.932 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.439 HD12 HD11 ' A' ' 4' ' ' ILE . 63.9 mt -93.96 112.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 71.14 111.07 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -105.68 115.54 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 64.42 110.851 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.19 -179.61 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.869 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -84.69 -23.52 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.902 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.873 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.54 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.7 t-80 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.818 0.342 . . . . 74.34 110.894 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.2 m -147.06 153.8 40.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.54 HG23 ' NE2' ' A' ' 2' ' ' HIS . 4.5 pt -140.13 160.57 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.092 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -117.0 135.81 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.18 158.04 36.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.724 0.773 . . . . 75.34 111.055 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.597 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.29 52.95 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 72.45 112.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.597 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.4 Cg_endo -69.78 168.57 67.09 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 -1.792 . . . . 62.23 112.305 -0.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 mmm -41.53 -37.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.83 69.42 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 40.04 111.105 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.02 99.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 64.32 111.136 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 128.19 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 64.14 110.812 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mm -104.9 118.09 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 71.41 111.157 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m -111.26 145.03 39.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 74.1 110.93 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -104.28 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -84.93 1.37 47.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.834 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 70.34 110.888 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.867 0.365 . . . . 65.2 110.822 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.67 161.84 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 62.22 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.6 149.24 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.01 111.117 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -110.07 135.0 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.893 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.23 158.22 36.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.674 0.75 . . . . 74.02 111.149 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.585 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.8 144.61 54.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.728 2.285 . . . . 75.25 112.347 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.585 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.9 Cg_endo -69.8 169.72 62.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 -1.812 . . . . 73.14 112.294 0.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mtp -41.95 -36.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.892 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.15 69.22 7.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.12 111.072 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.73 96.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 75.22 111.179 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -126.76 119.19 26.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.864 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.88 117.33 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 71.24 111.171 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -106.7 155.39 19.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 64.32 110.835 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.5 176.9 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.931 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -84.87 1.37 47.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 54.43 110.83 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.516 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.4 t-80 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.811 0.339 . . . . 70.04 110.912 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -147.84 149.91 33.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.816 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.516 HG23 ' NE2' ' A' ' 2' ' ' HIS . 7.8 pt -142.14 165.01 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.33 111.135 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -115.15 138.53 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.16 158.12 36.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 71.44 111.204 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.588 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.68 144.14 53.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.786 2.324 . . . . 73.23 112.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.588 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.77 168.92 65.81 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 -1.813 . . . . 74.04 112.306 -0.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 30.2 ttp -41.63 -37.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 53.11 110.911 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.98 69.46 7.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.088 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.19 96.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 63.23 111.131 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -113.47 116.7 30.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 71.43 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -92.2 117.31 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 71.55 111.114 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.47 158.25 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.45 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.03 -179.32 3.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.909 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.9 p -80.66 -24.27 39.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 73.32 110.914 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 64.52 110.85 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.819 0.343 . . . . 74.31 110.842 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.8 m -141.12 162.0 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 63.54 110.887 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.25 142.52 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.184 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -101.63 132.35 47.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.21 157.57 37.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 62.23 111.233 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.605 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.69 144.21 53.68 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.682 2.254 . . . . 62.44 112.369 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.605 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.74 168.3 67.88 Favored 'Cis proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.823 -1.74 . . . . 72.24 112.326 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mmm -41.32 -37.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.894 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.76 69.43 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.33 111.081 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.35 100.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 74.14 111.131 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -131.73 127.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 74.15 110.842 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mt -105.88 117.48 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 73.41 111.112 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.4 m -103.35 115.7 31.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.89 172.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -55.16 -41.24 71.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 74.31 110.923 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.448 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.2 t-80 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.831 0.348 . . . . 64.4 110.861 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.9 m -136.98 163.68 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.4 110.874 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.448 HG23 ' NE2' ' A' ' 2' ' ' HIS . 7.4 pt -141.64 146.49 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 70.11 111.083 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.45 135.42 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 61.25 110.961 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.17 157.97 36.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 70.11 111.157 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.595 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.0 Cg_endo -69.79 144.19 53.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 73.35 112.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.595 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.0 Cg_endo -69.78 168.37 67.8 Favored 'Cis proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.76 -1.767 . . . . 74.24 112.291 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.8 tpt -41.28 -37.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.917 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.78 69.45 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.0 111.129 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.57 99.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 64.45 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.17 122.79 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 74.21 110.894 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 mm -103.83 127.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 73.51 111.08 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.21 117.17 33.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 75.45 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.17 -178.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.2 110.865 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -61.83 -55.85 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.953 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 42.15 110.79 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.483 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.4 t-80 . . . . . 0 C--O 1.233 0.218 0 CA-C-O 120.828 0.347 . . . . 74.41 110.843 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -146.58 146.81 30.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 62.33 110.839 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.483 HG23 ' NE2' ' A' ' 2' ' ' HIS . 13.2 pt -143.33 148.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 74.2 111.056 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -105.44 141.2 37.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.905 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 m -150.04 158.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 71.51 111.13 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.574 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.63 143.98 53.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 73.22 112.356 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.574 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.63 168.32 67.44 Favored 'Cis proline' 0 C--N 1.343 0.237 0 C-N-CA 122.661 -1.808 . . . . 74.33 112.377 -0.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 tpt -41.26 -37.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.895 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.86 69.59 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.085 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.82 97.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 75.14 111.202 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -130.6 138.22 50.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 61.45 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 tt -120.64 125.71 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 73.25 111.123 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.5 m -112.64 115.61 28.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 62.04 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.41 176.39 4.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -84.8 1.31 47.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.926 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 64.23 110.832 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.474 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.2 t-80 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.828 0.347 . . . . 74.41 110.857 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.6 m -138.44 164.58 29.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.948 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.474 HG23 ' NE2' ' A' ' 2' ' ' HIS . 4.7 pt -144.01 148.26 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.122 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.13 133.75 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 61.05 110.942 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.11 157.62 37.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.714 . . . . 74.23 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.591 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.6 Cg_endo -69.85 143.89 51.84 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.737 2.291 . . . . 74.14 112.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.591 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.72 167.85 69.44 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.742 -1.774 . . . . 75.4 112.308 -0.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.6 ttt -41.24 -37.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.882 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.75 69.65 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.02 99.14 0.96 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 64.11 111.171 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.9 113.61 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 72.22 110.843 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mm -92.26 123.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 65.34 111.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.0 m -110.95 120.65 43.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 51.34 110.853 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.34 -178.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.843 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -60.31 -55.46 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.917 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.879 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.488 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.859 0.361 . . . . 73.22 110.923 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -146.5 146.93 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 44.13 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.488 HG23 ' NE2' ' A' ' 2' ' ' HIS . 12.5 pt -143.41 152.17 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.03 111.131 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -107.43 141.9 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 54.31 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.99 158.27 37.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 51.4 111.134 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 143.79 52.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 74.34 112.409 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.576 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.5 Cg_endo -69.83 168.35 68.06 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 -1.788 . . . . 61.21 112.295 -0.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -41.36 -37.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.13 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.92 69.68 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 74.4 111.094 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -164.08 99.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.185 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.52 138.07 50.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 54.03 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 tp -120.89 124.92 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 64.23 111.221 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -112.25 115.61 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.947 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.39 176.48 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 55.21 110.874 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 t -84.95 1.31 47.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 62.51 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 75.14 110.88 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.502 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.5 t-80 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.821 0.344 . . . . 73.3 110.92 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.0 m -142.83 159.24 42.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 55.11 110.829 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.502 HG23 ' NE2' ' A' ' 2' ' ' HIS . 11.7 pt -140.43 155.25 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.2 111.063 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -104.54 133.74 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.03 110.856 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 m -150.21 157.48 37.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 62.01 111.085 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.3 Cg_endo -69.74 143.81 52.15 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.659 2.239 . . . . 35.12 112.335 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.594 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.3 Cg_endo -69.75 167.87 69.49 Favored 'Cis proline' 0 N--CA 1.466 -0.119 0 C-N-CA 122.7 -1.792 . . . . 64.34 112.278 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.59 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 53.53 111.148 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.02 100.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 71.13 111.143 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.45 115.27 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 64.42 110.923 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.8 mm -92.19 119.17 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 70.34 111.139 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.8 m -110.4 124.72 52.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.2 179.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.947 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 p -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.88 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.817 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 . . . . . 0 C--O 1.232 0.183 0 CA-C-O 120.759 0.314 . . . . 65.1 110.875 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.1 m -147.21 138.13 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 53.14 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.0 pt -147.16 163.77 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.113 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -98.97 141.9 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 71.41 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.42 158.22 54.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.559 0.695 . . . . 74.13 111.222 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.597 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.94 143.53 50.24 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.647 2.231 . . . . 64.42 112.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.597 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.7 Cg_endo -69.63 167.87 69.11 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.722 -1.782 . . . . 60.21 112.367 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmt -40.82 -38.24 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.908 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.43 69.58 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 50.11 111.136 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.74 99.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 60.05 111.164 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -109.77 115.58 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.25 110.944 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.3 pt -97.52 135.96 30.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.157 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.21 115.59 19.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.877 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.25 171.99 12.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.817 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -85.01 1.4 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 70.22 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 72.12 110.802 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.49 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.0 t-80 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 72.54 110.891 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -146.51 147.41 31.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.89 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.49 HG23 ' NE2' ' A' ' 2' ' ' HIS . 12.7 pt -143.08 151.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 71.33 111.111 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -107.99 141.5 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.0 158.25 37.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 73.12 111.17 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.577 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.78 143.85 52.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.588 2.192 . . . . 71.33 112.362 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.577 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.71 168.23 68.04 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 -1.805 . . . . 73.14 112.381 -0.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ptp -41.45 -37.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.81 69.47 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.76 99.48 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.53 111.107 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.71 144.42 51.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.8 tt -128.35 125.49 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 71.35 111.141 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.9 m -112.54 115.51 28.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 61.02 110.883 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.37 177.67 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 75.5 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 p -85.06 1.29 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 61.12 110.872 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.864 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.94 0.4 . . . . 62.23 110.818 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -149.6 151.37 33.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.822 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.436 HD11 ' HB ' ' A' ' 13' ' ' ILE . 1.2 pp -151.2 163.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 72.44 111.072 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -113.19 137.96 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.9 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.2 158.2 36.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 73.24 111.05 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.585 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.17 52.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.587 2.191 . . . . 65.24 112.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.585 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.72 168.56 66.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 -1.801 . . . . 73.44 112.374 -0.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.0 mtt -41.42 -37.2 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 73.5 110.843 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.85 69.52 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 52.15 111.068 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.16 98.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 54.42 111.165 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.02 117.03 28.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 74.13 110.849 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.436 ' HB ' HD11 ' A' ' 4' ' ' ILE . 50.7 mm -92.34 118.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 70.33 111.165 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.9 m -120.86 132.29 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -92.02 177.92 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.2 110.919 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -84.9 1.5 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.906 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 61.01 110.808 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.883 0.373 . . . . 74.23 110.826 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.8 m -137.85 166.56 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.899 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 13' ' ' ILE . 2.7 pp -142.01 144.63 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 53.23 111.131 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 132.4 45.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.914 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.23 157.43 37.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 75.11 111.206 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.601 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.72 144.1 53.14 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.693 2.262 . . . . 74.45 112.383 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.601 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.74 168.09 68.65 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.759 -1.767 . . . . 62.22 112.355 -0.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.9 ttm -41.38 -37.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.849 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.47 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 72.35 111.155 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.2 96.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 65.25 111.078 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -124.82 119.46 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 73.32 110.838 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.771 HD13 HD11 ' A' ' 4' ' ' ILE . 4.8 mp -98.22 123.85 50.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 71.11 111.108 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.1 m -108.94 117.01 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 52.32 110.865 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.77 -178.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 70.33 110.816 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -60.48 -56.18 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.822 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.84 0.352 . . . . 64.24 110.882 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.91 139.52 24.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.6 pt -146.58 162.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.3 111.2 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -97.64 141.73 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 70.51 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -145.07 158.2 52.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 74.54 111.165 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.598 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 75.35 112.368 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.598 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.83 167.71 70.29 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 -1.781 . . . . 74.32 112.292 0.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttt -40.81 -38.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 64.54 110.948 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.46 69.56 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 55.42 111.163 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.59 101.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.179 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 116.21 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -97.6 134.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 64.32 111.147 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.03 115.65 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.32 110.867 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.91 172.85 11.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 73.53 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -85.01 1.29 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.908 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.529 . . . . 75.31 110.761 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.72 0.295 . . . . 63.33 110.988 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.5 m -138.64 170.57 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 70.3 110.909 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.59 145.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -100.8 133.07 45.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.908 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.16 157.53 37.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 42.22 111.153 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.603 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.79 143.88 52.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 75.24 112.39 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.603 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.0 Cg_endo -69.82 168.15 68.73 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 -1.809 . . . . 71.13 112.38 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mmt -41.66 -36.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 64.33 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.96 69.61 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 62.32 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.28 97.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 52.11 111.148 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -124.43 118.44 26.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mm -97.78 124.41 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 61.02 111.184 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.3 m -111.41 121.31 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 72.23 110.822 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -178.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 74.04 110.889 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -59.9 -55.82 29.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 54.33 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.869 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.422 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.888 0.375 . . . . 72.23 110.772 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m -147.63 142.25 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.861 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.483 HG13 HG23 ' A' ' 13' ' ' ILE . 1.1 pt -145.24 160.66 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 62.3 111.133 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.56 141.35 32.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 72.04 110.972 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -145.32 157.94 52.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 65.41 111.159 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.599 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.4 Cg_endo -69.74 143.33 50.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.7 2.266 . . . . 70.32 112.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.599 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.75 167.43 71.04 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.787 -1.755 . . . . 61.32 112.291 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 tpt -40.76 -38.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 54.24 110.846 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 69.54 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 72.23 111.121 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.2 101.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.119 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -108.97 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 53.03 110.857 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.483 HG23 HG13 ' A' ' 4' ' ' ILE . 7.0 tp -101.21 127.29 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.24 111.173 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.3 m -116.81 161.51 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.31 110.932 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -117.77 176.5 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 54.24 110.848 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -84.94 1.48 47.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.841 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 73.32 110.881 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.915 0.388 . . . . 63.43 110.855 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -142.55 168.2 20.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -147.63 146.75 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 61.14 111.117 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -97.35 140.38 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.956 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.0 158.32 36.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.758 . . . . 73.21 111.109 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.581 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.81 143.92 52.16 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 70.11 112.302 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.581 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.7 Cg_endo -69.78 168.31 68.01 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.72 -1.783 . . . . 74.13 112.29 -0.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 tpt -41.06 -37.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.933 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 69.44 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 74.34 111.118 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.89 99.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.04 111.188 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -123.62 119.19 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.843 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 tt -105.34 130.38 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.16 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -107.25 161.13 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.05 110.966 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.817 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -61.25 -46.57 89.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.814 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 61.54 110.824 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.445 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.9 t-80 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.839 0.352 . . . . 74.31 110.851 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.5 m -147.07 143.91 28.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.855 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.445 HG23 ' NE2' ' A' ' 2' ' ' HIS . 13.3 pt -144.79 155.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 72.41 111.159 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -98.28 141.58 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.932 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.75 158.21 46.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.598 0.713 . . . . 62.32 111.179 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.602 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.76 143.59 51.34 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 2.222 . . . . 72.14 112.364 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.602 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.6 Cg_endo -69.71 167.93 69.15 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 -1.801 . . . . 73.2 112.389 -0.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.3 mtm -41.01 -38.01 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 64.5 110.803 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 69.6 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 70.24 111.097 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.72 100.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 72.23 111.184 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -115.18 116.87 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.939 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 pt -103.32 134.37 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 72.35 111.147 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m -120.53 161.46 21.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 54.33 110.925 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.29 178.76 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.854 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -85.03 1.51 47.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 60.32 110.861 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 64.13 110.908 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' HIS . . . . . 0.444 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.914 0.388 . . . . 72.42 110.756 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -147.2 143.6 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 52.33 110.897 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.576 HG13 HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -144.61 164.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 72.34 111.152 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -102.49 141.52 35.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.82 158.06 53.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.709 0.766 . . . . 75.23 111.044 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.6 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.82 143.39 50.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.28 . . . . 73.21 112.292 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PRO . . . . . 0.6 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.78 167.62 70.45 Favored 'Cis proline' 0 C--N 1.343 0.258 0 C-N-CA 122.63 -1.821 . . . . 74.04 112.336 -0.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.1 ptp -40.81 -38.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 61.33 110.949 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.55 69.74 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.087 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.42 100.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 72.23 111.111 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.35 114.65 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 54.3 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.576 HG23 HG13 ' A' ' 4' ' ' ILE . 6.0 tp -99.84 123.22 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.01 111.144 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.4 m -112.21 161.55 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 73.14 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.51 174.24 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.896 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 p -84.96 1.38 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.815 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.85 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.376 0 N-CA-C 112.517 -0.233 . . . . 45.03 112.517 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.552 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.0 t-80 -117.2 144.59 44.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.876 0.37 . . . . 63.22 110.813 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.2 m -146.94 152.47 38.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.02 110.852 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.552 HG23 ' NE2' ' A' ' 2' ' ' HIS . 3.9 pt -139.48 147.66 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 72.4 111.102 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -110.53 134.61 52.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 75.22 110.99 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.17 158.28 36.64 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.627 0.727 . . . . 71.33 111.11 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.592 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.75 144.8 55.26 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.742 2.295 . . . . 52.01 112.384 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.592 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.85 169.83 61.83 Favored 'Cis proline' 0 C--N 1.341 0.138 0 C-N-CA 122.62 -1.825 . . . . 70.02 112.283 0.001 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.3 ptt? -41.6 -37.57 1.17 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.102 -0.499 . . . . 72.34 110.851 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.9 69.13 7.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.277 -0.419 . . . . 64.31 111.145 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.82 94.68 0.68 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.196 -0.456 . . . . 74.42 111.198 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -129.93 122.86 29.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.932 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.439 HD12 HD11 ' A' ' 4' ' ' ILE . 63.9 mt -93.96 112.26 26.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 71.14 111.07 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 m -105.68 115.54 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 64.42 110.851 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -78.19 -179.61 6.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.126 -0.488 . . . . 75.33 110.869 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.8 t -84.69 -23.52 29.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 74.44 110.902 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 73.03 110.873 179.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.482 -0.247 . . . . 43.02 112.482 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.54 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.7 t-80 -114.74 144.79 42.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.818 0.342 . . . . 74.34 110.894 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 89.2 m -147.06 153.8 40.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.836 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.54 HG23 ' NE2' ' A' ' 2' ' ' HIS . 4.5 pt -140.13 160.57 25.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.141 -0.481 . . . . 72.32 111.092 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.7 tt0 -117.0 135.81 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 74.31 110.893 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.18 158.04 36.82 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.724 0.773 . . . . 75.34 111.055 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.597 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.29 52.95 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 2.233 . . . . 72.45 112.274 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.4 Cg_endo -69.78 168.57 67.09 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.7 -1.792 . . . . 62.23 112.305 -0.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 24.7 mmm -41.53 -37.02 1.01 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 75.04 110.897 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.83 69.42 7.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 40.04 111.105 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.02 99.09 0.86 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 64.32 111.136 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.78 128.19 50.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 64.14 110.812 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.9 mm -104.9 118.09 51.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.072 -0.513 . . . . 71.41 111.157 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 61.9 m -111.26 145.03 39.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 74.1 110.93 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -104.28 -179.82 4.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 72.31 110.94 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.8 t -84.93 1.37 47.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.228 -0.442 . . . . 73.42 110.834 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 p30 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 70.34 110.888 179.945 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.453 -0.259 . . . . 63.01 112.453 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -117.04 144.74 44.28 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.867 0.365 . . . . 65.2 110.822 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.67 161.84 39.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 62.22 110.917 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.2 pp -143.6 149.24 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 62.01 111.117 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -110.07 135.0 51.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.24 110.893 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.23 158.22 36.56 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.674 0.75 . . . . 74.02 111.149 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.585 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.8 144.61 54.35 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.728 2.285 . . . . 75.25 112.347 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.9 Cg_endo -69.8 169.72 62.14 Favored 'Cis proline' 0 C--N 1.342 0.207 0 C-N-CA 122.651 -1.812 . . . . 73.14 112.294 0.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mtp -41.95 -36.74 1.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.892 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.15 69.22 7.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.44 . . . . 63.12 111.072 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.73 96.25 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 75.22 111.179 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -126.76 119.19 26.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.864 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.6 mm -93.88 117.33 37.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 71.24 111.171 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 m -106.7 155.39 19.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 64.32 110.835 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -117.5 176.9 4.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 72.41 110.931 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.5 m -84.87 1.37 47.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 65.3 110.937 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 54.43 110.83 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.25 0 N-CA-C 112.476 -0.25 . . . . 41.42 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.516 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.4 t-80 -113.29 144.02 43.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.811 0.339 . . . . 70.04 110.912 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.5 m -147.84 149.91 33.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 71.45 110.816 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.516 HG23 ' NE2' ' A' ' 2' ' ' HIS . 7.8 pt -142.14 165.01 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 75.33 111.135 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 23.4 mt-30 -115.15 138.53 50.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.911 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.16 158.12 36.8 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.614 0.721 . . . . 71.44 111.204 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.588 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.68 144.14 53.51 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.786 2.324 . . . . 73.23 112.291 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.588 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.77 168.92 65.81 Favored 'Cis proline' 0 C--N 1.342 0.222 0 C-N-CA 122.649 -1.813 . . . . 74.04 112.306 -0.065 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 30.2 ttp -41.63 -37.01 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 53.11 110.911 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.98 69.46 7.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.207 -0.451 . . . . 74.54 111.088 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.19 96.79 0.8 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.252 -0.431 . . . . 63.23 111.131 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -113.47 116.7 30.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.295 -0.411 . . . . 71.43 110.871 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 50.5 mm -92.2 117.31 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.48 . . . . 71.55 111.114 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.1 m -112.47 158.25 20.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 62.45 110.875 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -121.03 -179.32 3.99 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 74.23 110.909 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 83.9 p -80.66 -24.27 39.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 73.32 110.914 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.1 p30 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 64.52 110.85 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.43 -0.268 . . . . 32.11 112.43 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -53.98 145.39 16.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.819 0.343 . . . . 74.31 110.842 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 68.8 m -141.12 162.0 36.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 63.54 110.887 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -138.25 142.52 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 75.13 111.184 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -101.63 132.35 47.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 71.21 110.882 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.21 157.57 37.13 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.61 0.719 . . . . 62.23 111.233 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.605 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.2 Cg_endo -69.69 144.21 53.68 Favored 'Trans proline' 0 C--N 1.34 0.126 0 C-N-CA 122.682 2.254 . . . . 62.44 112.369 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.605 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.74 168.3 67.88 Favored 'Cis proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.823 -1.74 . . . . 72.24 112.326 0.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.0 mmm -41.32 -37.68 1.03 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 73.11 110.894 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.76 69.43 7.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 75.33 111.081 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.35 100.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 74.14 111.131 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -131.73 127.69 37.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.31 -0.404 . . . . 74.15 110.842 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 35.4 mt -105.88 117.48 51.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.081 -0.509 . . . . 73.41 111.112 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.4 m -103.35 115.7 31.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 75.32 110.881 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -59.89 172.53 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.238 -0.437 . . . . 73.23 110.941 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 p -55.16 -41.24 71.57 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.445 . . . . 71.44 110.908 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.089 -0.505 . . . . 74.31 110.923 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.425 -0.27 . . . . 64.41 112.425 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.448 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.2 t-80 -51.53 145.68 8.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 64.4 110.861 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.9 m -136.98 163.68 30.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 64.4 110.874 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.448 HG23 ' NE2' ' A' ' 2' ' ' HIS . 7.4 pt -141.64 146.49 23.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 70.11 111.083 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -101.45 135.42 42.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 61.25 110.961 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -150.17 157.97 36.89 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.617 0.722 . . . . 70.11 111.157 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.595 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.0 Cg_endo -69.79 144.19 53.07 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 73.35 112.305 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.595 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.0 Cg_endo -69.78 168.37 67.8 Favored 'Cis proline' 0 N--CA 1.464 -0.212 0 C-N-CA 122.76 -1.767 . . . . 74.24 112.291 -0.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.8 tpt -41.28 -37.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 75.32 110.917 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.78 69.45 7.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 72.0 111.129 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.57 99.64 0.91 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 64.45 111.158 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -128.17 122.79 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 74.21 110.894 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 34.9 mm -103.83 127.3 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 73.51 111.08 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 94.4 m -109.21 117.17 33.42 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.111 -0.495 . . . . 75.45 110.9 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -58.17 -178.18 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.445 . . . . 74.2 110.865 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.3 m -61.83 -55.85 25.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 74.02 110.953 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 48.3 p30 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 42.15 110.79 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.506 -0.238 . . . . 65.35 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.483 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.4 t-80 -115.36 140.84 48.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 74.41 110.843 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 70.9 m -146.58 146.81 30.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 62.33 110.839 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.483 HG23 ' NE2' ' A' ' 2' ' ' HIS . 13.2 pt -143.33 148.17 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 74.2 111.056 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -105.44 141.2 37.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 74.43 110.905 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.2 m -150.04 158.5 36.74 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.601 0.715 . . . . 71.51 111.13 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.574 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.63 143.98 53.22 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.678 2.252 . . . . 73.22 112.356 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.574 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.63 168.32 67.44 Favored 'Cis proline' 0 C--N 1.343 0.237 0 C-N-CA 122.661 -1.808 . . . . 74.33 112.377 -0.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 1.9 tpt -41.26 -37.53 0.97 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.214 -0.448 . . . . 71.14 110.895 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.86 69.59 7.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 74.2 111.085 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.82 97.72 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 75.14 111.202 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -130.6 138.22 50.02 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.137 -0.483 . . . . 61.45 110.88 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 13.2 tt -120.64 125.71 74.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 73.25 111.123 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 16.5 m -112.64 115.61 28.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.232 -0.44 . . . . 62.04 110.891 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.41 176.39 4.69 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.16 -0.473 . . . . 74.44 110.909 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.2 p -84.8 1.31 47.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.926 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 64.23 110.832 -179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.565 -0.214 . . . . 72.42 112.565 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.474 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.2 t-80 -51.56 145.63 8.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.828 0.347 . . . . 74.41 110.857 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 77.6 m -138.44 164.58 29.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.24 110.948 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.474 HG23 ' NE2' ' A' ' 2' ' ' HIS . 4.7 pt -144.01 148.26 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 74.12 111.122 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -98.13 133.75 42.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 61.05 110.942 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.1 m -150.11 157.62 37.3 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.714 . . . . 74.23 111.113 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.591 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.6 Cg_endo -69.85 143.89 51.84 Favored 'Trans proline' 0 N--CA 1.465 -0.164 0 C-N-CA 122.737 2.291 . . . . 74.14 112.315 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.591 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.5 Cg_endo -69.72 167.85 69.44 Favored 'Cis proline' 0 C--O 1.231 0.147 0 C-N-CA 122.742 -1.774 . . . . 75.4 112.308 -0.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 7.6 ttt -41.24 -37.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.882 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.75 69.65 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 71.23 111.11 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.02 99.14 0.96 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.229 -0.441 . . . . 64.11 111.171 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.9 113.61 20.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 72.22 110.843 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.1 mm -92.26 123.39 44.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 65.34 111.098 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 97.0 m -110.95 120.65 43.08 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.113 -0.494 . . . . 51.34 110.853 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -63.34 -178.64 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 72.23 110.843 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.2 m -60.31 -55.46 33.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 72.35 110.917 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 72.4 110.879 179.926 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.495 -0.242 . . . . 42.33 112.495 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.488 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 -115.73 141.26 48.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.859 0.361 . . . . 73.22 110.923 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 81.3 m -146.5 146.93 30.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 44.13 110.874 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.488 HG23 ' NE2' ' A' ' 2' ' ' HIS . 12.5 pt -143.41 152.17 16.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 71.03 111.131 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -107.43 141.9 38.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 54.31 110.895 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -149.99 158.27 37.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.602 0.715 . . . . 51.4 111.134 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.576 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.1 Cg_endo -69.68 143.79 52.35 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.665 2.243 . . . . 74.34 112.409 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.576 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 52.5 Cg_endo -69.83 168.35 68.06 Favored 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.709 -1.788 . . . . 61.21 112.295 -0.013 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.1 ptt? -41.36 -37.19 0.96 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 63.13 110.907 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.92 69.68 7.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.02 0.438 . . . . 74.4 111.094 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -164.08 99.81 0.85 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.185 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -130.52 138.07 50.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 54.03 110.903 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 tp -120.89 124.92 73.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 64.23 111.221 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.4 m -112.25 115.61 29.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 75.3 110.947 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 -70.39 176.48 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 55.21 110.874 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 29.4 t -84.95 1.31 47.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 62.51 110.839 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.155 -0.475 . . . . 75.14 110.88 179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.548 -0.221 . . . . 74.41 112.548 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.502 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.5 t-80 -51.65 145.28 9.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.821 0.344 . . . . 73.3 110.92 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.0 m -142.83 159.24 42.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 55.11 110.829 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.502 HG23 ' NE2' ' A' ' 2' ' ' HIS . 11.7 pt -140.43 155.25 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 62.2 111.063 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.2 pt20 -104.54 133.74 48.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 72.03 110.856 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.3 m -150.21 157.48 37.19 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 62.01 111.085 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.594 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.3 Cg_endo -69.74 143.81 52.15 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.659 2.239 . . . . 35.12 112.335 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.594 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.3 Cg_endo -69.75 167.87 69.49 Favored 'Cis proline' 0 N--CA 1.466 -0.119 0 C-N-CA 122.7 -1.792 . . . . 64.34 112.278 -0.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 25.9 mmt -41.63 -37.03 1.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.177 -0.465 . . . . 74.34 110.889 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.59 7.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.451 . . . . 53.53 111.148 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.02 100.06 0.97 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 71.13 111.143 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -119.45 115.27 23.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 64.42 110.923 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 51.8 mm -92.19 119.17 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 70.34 111.139 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 98.8 m -110.4 124.72 52.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 75.41 110.914 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -69.2 179.74 1.85 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.947 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.4 p -62.41 -42.6 99.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 73.25 110.88 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 p30 . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 72.42 110.817 179.925 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.526 -0.23 . . . . 75.4 112.526 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -114.37 140.29 48.78 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.759 0.314 . . . . 65.1 110.875 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 92.1 m -147.21 138.13 23.71 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.296 -0.411 . . . . 53.14 110.914 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.0 pt -147.16 163.77 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 71.41 111.113 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 19.0 pt20 -98.97 141.9 31.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 71.41 110.9 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -144.42 158.22 54.67 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.559 0.695 . . . . 74.13 111.222 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.597 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.94 143.53 50.24 Favored 'Trans proline' 0 C--N 1.34 0.116 0 C-N-CA 122.647 2.231 . . . . 64.42 112.288 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.597 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.7 Cg_endo -69.63 167.87 69.11 Favored 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.722 -1.782 . . . . 60.21 112.367 -0.065 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.8 mmt -40.82 -38.24 0.9 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 74.14 110.908 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.43 69.58 8.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 50.11 111.136 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.74 99.79 0.89 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 60.05 111.164 -179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.6 mt-10 -109.77 115.58 30.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 73.25 110.944 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 29.3 pt -97.52 135.96 30.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 72.14 111.157 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 4.2 m -127.21 115.59 19.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 73.42 110.877 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 -74.25 171.99 12.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 74.24 110.817 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.7 m -85.01 1.4 47.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.1 -0.5 . . . . 70.22 110.869 -179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 72.12 110.802 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.532 -0.227 . . . . 65.02 112.532 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.49 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.0 t-80 -115.66 141.43 48.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.812 0.339 . . . . 72.54 110.891 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 71.6 m -146.51 147.41 31.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 74.02 110.89 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.49 HG23 ' NE2' ' A' ' 2' ' ' HIS . 12.7 pt -143.08 151.17 17.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.198 -0.455 . . . . 71.33 111.111 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -107.99 141.5 39.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 71.31 110.91 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -150.0 158.25 37.03 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.62 0.724 . . . . 73.12 111.17 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.577 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.7 Cg_endo -69.78 143.85 52.06 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.588 2.192 . . . . 71.33 112.362 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.577 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.8 Cg_endo -69.71 168.23 68.04 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.668 -1.805 . . . . 73.14 112.381 -0.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.1 ptp -41.45 -37.07 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.844 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.81 69.47 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.243 -0.435 . . . . 70.33 111.103 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.76 99.48 0.89 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 75.53 111.107 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -130.71 144.42 51.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 72.45 110.914 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 9.8 tt -128.35 125.49 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 71.35 111.141 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 35.9 m -112.54 115.51 28.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 61.02 110.883 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.37 177.67 3.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 75.5 110.907 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 26.4 p -85.06 1.29 48.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 61.12 110.872 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 74.5 110.864 179.932 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.22 0 N-CA-C 112.488 -0.245 . . . . 75.14 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -108.52 142.65 38.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.94 0.4 . . . . 62.23 110.818 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 36.0 m -149.6 151.37 33.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 73.35 110.822 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.436 HD11 ' HB ' ' A' ' 13' ' ' ILE . 1.2 pp -151.2 163.3 2.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 72.44 111.072 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -113.19 137.96 50.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 71.42 110.9 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -150.2 158.2 36.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 73.24 111.05 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.585 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.88 144.17 52.56 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.587 2.191 . . . . 65.24 112.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.585 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.1 Cg_endo -69.72 168.56 66.87 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 -1.801 . . . . 73.44 112.374 -0.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 39.0 mtt -41.42 -37.2 0.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.259 -0.428 . . . . 73.5 110.843 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.85 69.52 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 52.15 111.068 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -164.16 98.84 0.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 54.42 111.165 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -116.02 117.03 28.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 74.13 110.849 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.436 ' HB ' HD11 ' A' ' 4' ' ' ILE . 50.7 mm -92.34 118.98 39.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 70.33 111.165 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.9 m -120.86 132.29 54.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 62.24 110.856 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -92.02 177.92 6.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.095 -0.502 . . . . 65.2 110.919 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.0 m -84.9 1.5 46.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 63.23 110.906 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.068 -0.515 . . . . 61.01 110.808 179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.474 -0.25 . . . . 73.43 112.474 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -51.9 145.74 9.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.883 0.373 . . . . 74.23 110.826 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.8 m -137.85 166.56 23.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.899 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.771 HD11 HD13 ' A' ' 13' ' ' ILE . 2.7 pp -142.01 144.63 25.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 53.23 111.131 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -100.25 132.4 45.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 65.5 110.914 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.23 157.43 37.18 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.56 0.695 . . . . 75.11 111.206 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.601 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.5 Cg_endo -69.72 144.1 53.14 Favored 'Trans proline' 0 N--CA 1.465 -0.194 0 C-N-CA 122.693 2.262 . . . . 74.45 112.383 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.601 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.74 168.09 68.65 Favored 'Cis proline' 0 C--O 1.231 0.136 0 C-N-CA 122.759 -1.767 . . . . 62.22 112.355 -0.028 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 5.9 ttm -41.38 -37.6 1.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 73.13 110.849 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.79 69.47 7.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 72.35 111.155 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -163.2 96.51 0.88 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 65.25 111.078 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -124.82 119.46 28.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 73.32 110.838 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.771 HD13 HD11 ' A' ' 4' ' ' ILE . 4.8 mp -98.22 123.85 50.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 71.11 111.108 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 99.1 m -108.94 117.01 33.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 52.32 110.865 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -59.77 -178.05 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.175 -0.466 . . . . 70.33 110.816 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.3 m -60.48 -56.18 24.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 73.44 110.872 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 73.33 110.822 179.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.469 -0.252 . . . . 32.25 112.469 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 2.5 t-80 -114.42 140.37 48.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 64.24 110.882 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 96.7 m -146.91 139.52 24.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 73.4 110.981 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 12.6 pt -146.58 162.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 71.3 111.2 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.7 pp0? -97.64 141.73 30.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 70.51 110.886 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -145.07 158.2 52.54 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.586 0.708 . . . . 74.54 111.165 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.598 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.9 Cg_endo -69.81 143.4 50.48 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.657 2.238 . . . . 75.35 112.368 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.598 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.83 167.71 70.29 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.726 -1.781 . . . . 74.32 112.292 0.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 2.5 ttt -40.81 -38.13 0.88 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.188 -0.46 . . . . 64.54 110.948 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.46 69.56 7.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 55.42 111.163 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.59 101.68 0.92 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.194 -0.457 . . . . 72.3 111.179 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -112.15 116.21 30.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 71.14 110.928 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 10.5 tp -97.6 134.77 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 64.32 111.147 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 3.9 m -126.03 115.65 20.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 70.32 110.867 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -74.91 172.85 11.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 73.53 110.846 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.5 p -85.01 1.29 48.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 74.32 110.908 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.037 -0.529 . . . . 75.31 110.761 179.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.374 -0.29 . . . . 62.03 112.374 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -51.67 145.65 8.93 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.72 0.295 . . . . 63.33 110.988 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.5 m -138.64 170.57 15.76 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.221 -0.445 . . . . 70.3 110.909 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.6 pp -147.59 145.66 18.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -100.8 133.07 45.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 74.32 110.908 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 2.2 m -150.16 157.53 37.28 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.61 0.719 . . . . 42.22 111.153 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.603 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.8 Cg_endo -69.79 143.88 52.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.726 2.284 . . . . 75.24 112.39 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.603 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.0 Cg_endo -69.82 168.15 68.73 Favored 'Cis proline' 0 C--N 1.341 0.147 0 C-N-CA 122.659 -1.809 . . . . 71.13 112.38 0.076 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.4 mmt -41.66 -36.92 1.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 64.33 110.868 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.96 69.61 7.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 62.32 111.101 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.28 97.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 52.11 111.148 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -124.43 118.44 26.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.861 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.6 mm -97.78 124.41 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 61.02 111.184 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.3 m -111.41 121.31 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 72.23 110.822 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -64.36 -178.4 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.457 . . . . 74.04 110.889 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.2 t -59.9 -55.82 29.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 54.33 110.865 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 p30 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 71.11 110.869 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.548 -0.221 . . . . 74.34 112.548 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.422 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 -113.11 141.5 46.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.888 0.375 . . . . 72.23 110.772 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 98.4 m -147.63 142.25 26.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 71.41 110.861 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.483 HG13 HG23 ' A' ' 13' ' ' ILE . 1.1 pt -145.24 160.66 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 62.3 111.133 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -99.56 141.35 32.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.44 . . . . 72.04 110.972 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 m -145.32 157.94 52.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 65.41 111.159 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.599 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.4 Cg_endo -69.74 143.33 50.59 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.7 2.266 . . . . 70.32 112.345 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.599 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.1 Cg_endo -69.75 167.43 71.04 Favored 'Cis proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.787 -1.755 . . . . 61.32 112.291 -0.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 9.0 tpt -40.76 -38.2 0.88 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.286 -0.416 . . . . 54.24 110.846 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.45 69.54 7.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.276 -0.42 . . . . 72.23 111.121 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -163.2 101.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 74.15 111.119 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -108.97 114.85 28.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 53.03 110.857 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.483 HG23 HG13 ' A' ' 4' ' ' ILE . 7.0 tp -101.21 127.29 54.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.24 111.173 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 37.3 m -116.81 161.51 19.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 72.31 110.932 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -117.77 176.5 5.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 54.24 110.848 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -84.94 1.48 47.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.047 -0.524 . . . . 73.43 110.841 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 73.32 110.881 179.969 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.549 -0.22 . . . . 63.02 112.549 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -56.86 145.23 30.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.915 0.388 . . . . 63.43 110.855 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 59.5 m -142.55 168.2 20.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 73.24 110.852 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 17.9 pt -147.63 146.75 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 61.14 111.117 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 20.8 pt20 -97.35 140.38 31.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 75.13 110.956 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.4 m -150.0 158.32 36.98 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.693 0.758 . . . . 73.21 111.109 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.581 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.1 Cg_endo -69.81 143.92 52.16 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.66 2.24 . . . . 70.11 112.302 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.581 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.7 Cg_endo -69.78 168.31 68.01 Favored 'Cis proline' 0 C--N 1.342 0.231 0 C-N-CA 122.72 -1.783 . . . . 74.13 112.29 -0.004 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 8.1 tpt -41.06 -37.86 0.92 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 71.14 110.933 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.59 69.44 7.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.463 . . . . 74.34 111.118 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.89 99.18 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 71.04 111.188 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -123.62 119.19 29.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 71.41 110.843 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 19.4 tt -105.34 130.38 56.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 73.53 111.16 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.2 m -107.25 161.13 15.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.192 -0.458 . . . . 72.05 110.966 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -104.02 -177.9 3.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 74.13 110.817 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.1 p -61.25 -46.57 89.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.104 -0.498 . . . . 74.25 110.814 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 61.54 110.824 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.515 -0.234 . . . . 62.43 112.515 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.445 ' NE2' HG23 ' A' ' 4' ' ' ILE . 1.9 t-80 -111.32 141.13 45.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.839 0.352 . . . . 74.31 110.851 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 84.5 m -147.07 143.91 28.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 63.33 110.855 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.445 HG23 ' NE2' ' A' ' 2' ' ' HIS . 13.3 pt -144.79 155.4 14.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 72.41 111.159 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 27.6 tt0 -98.28 141.58 31.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 73.12 110.932 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.75 158.21 46.26 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.598 0.713 . . . . 62.32 111.179 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.602 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 54.3 Cg_endo -69.76 143.59 51.34 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.633 2.222 . . . . 72.14 112.364 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.602 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 54.6 Cg_endo -69.71 167.93 69.15 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.678 -1.801 . . . . 73.2 112.389 -0.093 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 29.3 mtm -41.01 -38.01 0.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 64.5 110.803 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.49 69.6 7.94 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 70.24 111.097 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.72 100.21 0.9 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 72.23 111.184 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.0 mp0 -115.18 116.87 29.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 64.32 110.939 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 26.1 pt -103.32 134.37 44.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 72.35 111.147 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 57.1 m -120.53 161.46 21.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 54.33 110.925 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -116.29 178.76 4.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 74.34 110.854 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -85.03 1.51 47.32 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.14 -0.482 . . . . 60.32 110.861 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 64.13 110.908 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.44 -0.264 . . . . 63.15 112.44 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.444 ' NE2' HG23 ' A' ' 4' ' ' ILE . 2.2 t-80 -116.04 141.64 47.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.914 0.388 . . . . 72.42 110.756 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 87.1 m -147.2 143.6 28.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 52.33 110.897 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.576 HG13 HG23 ' A' ' 13' ' ' ILE . 1.0 OUTLIER -144.61 164.64 13.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 72.34 111.152 179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -102.49 141.52 35.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 73.21 110.921 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.6 m -144.82 158.06 53.62 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.709 0.766 . . . . 75.23 111.044 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.6 ' HA ' ' C ' ' A' ' 8' ' ' PRO . 53.2 Cg_endo -69.82 143.39 50.41 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.719 2.28 . . . . 73.21 112.292 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.6 ' C ' ' HA ' ' A' ' 7' ' ' PRO . 53.6 Cg_endo -69.78 167.62 70.45 Favored 'Cis proline' 0 C--N 1.343 0.258 0 C-N-CA 122.63 -1.821 . . . . 74.04 112.336 -0.046 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 15.1 ptp -40.81 -38.09 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 61.33 110.949 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -89.55 69.74 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 71.31 111.087 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -163.42 100.73 0.94 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 72.23 111.111 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -107.35 114.65 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 54.3 110.947 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.576 HG23 HG13 ' A' ' 4' ' ' ILE . 6.0 tp -99.84 123.22 52.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 71.01 111.144 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 13.4 m -112.21 161.55 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 73.14 110.895 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -120.51 174.24 6.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 70.32 110.896 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.6 p -84.96 1.38 47.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 73.35 110.815 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.85 179.919 . . . . . . . . 0 0 . 1 stop_ save_