data_2ndm_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 2ndm _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 72.53 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.5 mmt-85 -89.28 158.93 45.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.716 . . . . 74.21 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.61 128.33 16.01 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.77 2.313 . . . . 74.22 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.51 103.05 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 73.1 110.87 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -119.67 117.16 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.97 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -138.14 -175.92 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.25 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.0 -34.28 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -92.83 17.81 9.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 75.4 110.944 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t 57.69 77.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.875 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.5 t -64.29 151.88 42.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 72.44 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -90.06 155.65 47.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 74.14 110.84 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 149.06 66.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 75.01 112.419 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 75.3 110.873 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 71.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 74.31 110.875 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 75.02 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.41 111.069 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 65.13 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 75.51 112.323 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 63.5 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -91.51 158.52 40.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 73.54 110.819 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 139.1 39.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.751 2.3 . . . . 72.43 112.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -119.96 147.48 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.855 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -120.0 128.6 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.917 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 p -151.51 -177.95 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.126 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.0 -34.93 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.914 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -93.26 17.38 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.901 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 m 51.12 88.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 75.12 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.5 p -85.55 151.86 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.872 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.23 155.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 74.5 110.84 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.54 54.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 64.24 112.411 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.3 110.842 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.516 -0.234 . . . . 72.45 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.7 mtm-85 -91.13 155.76 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 74.01 110.866 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 63.23 112.334 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p -120.18 153.05 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 65.42 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -120.16 112.41 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.946 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.8 p -146.19 155.77 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 72.24 111.14 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 tp -85.15 -25.22 27.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.942 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -90.36 17.97 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.32 111.006 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t 63.76 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 64.5 110.866 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.36 140.42 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 74.22 110.856 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -83.53 154.99 65.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.666 0.746 . . . . 70.04 110.923 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.02 46.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 74.54 112.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.1 110.852 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.482 -0.247 . . . . 61.14 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -91.2 156.37 43.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 75.02 110.913 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 75.54 112.322 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 p -120.26 155.35 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.87 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -120.08 110.92 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -146.4 153.6 40.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 71.22 111.099 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -85.06 -23.73 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.912 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -91.01 18.11 7.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.885 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 64.01 105.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 62.4 110.829 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.32 140.46 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.842 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -83.0 155.14 67.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 73.12 110.87 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 141.14 44.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 65.41 112.368 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.7 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 64.3 110.907 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.547 -0.221 . . . . 74.54 112.547 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -90.42 159.52 41.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 74.34 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 130.97 20.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 74.43 112.377 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.7 93.77 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.859 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -120.35 107.16 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.923 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.0 p -151.63 171.22 17.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 63.24 111.106 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -55.31 -36.0 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.96 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -72.11 -20.79 61.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.95 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 67.45 46.87 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.5 p -61.06 151.83 29.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 75.05 110.838 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -78.5 155.76 78.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 73.1 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 151.27 68.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 65.04 112.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.847 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 73.21 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -69.77 159.6 83.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 74.33 110.821 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.753 2.302 . . . . 75.22 112.287 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.85 99.92 8.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 54.14 110.842 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.8 112.93 19.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 75.14 110.961 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.4 p -137.89 -177.86 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 74.34 111.129 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -38.43 90.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 74.13 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -95.9 17.38 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.906 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m 50.36 72.07 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.85 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.3 p -66.13 139.5 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 65.24 110.867 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -59.25 155.68 33.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 73.25 110.818 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 165.67 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.227 . . . . 72.34 112.339 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.864 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.456 -0.257 . . . . 73.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -90.86 159.39 40.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 72.43 110.836 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.0 10.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 74.15 112.368 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 63.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -119.99 122.1 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.894 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -151.0 178.59 9.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 74.35 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.81 -32.53 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 73.03 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.25 18.04 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 73.04 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.6 p 47.89 71.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 75.53 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.18 151.36 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 63.33 110.861 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -90.52 155.54 46.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.35 110.943 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.72 48.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.722 2.281 . . . . 74.31 112.344 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.905 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.552 -0.219 . . . . 42.13 112.552 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.95 153.36 45.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.531 0.681 . . . . 75.51 110.919 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.72 48.32 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.649 2.232 . . . . 73.34 112.295 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -120.07 152.22 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -120.12 110.22 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 73.25 110.918 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 p -142.97 156.57 44.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 73.44 111.165 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 mt -85.13 -25.41 27.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -90.32 17.88 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 72.42 110.914 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.78 104.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 72.32 110.907 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.26 140.55 46.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 73.12 110.85 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.32 155.07 63.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 63.53 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.05 49.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 72.42 112.359 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 74.53 110.886 179.855 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 71.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 74.31 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 75.02 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.41 111.069 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.881 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 65.13 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 75.51 112.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.581 -0.208 . . . . 73.4 112.581 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -90.52 159.46 41.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 72.24 110.895 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.65 63.27 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.628 2.219 . . . . 75.33 112.43 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t -119.67 94.44 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 63.41 110.888 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -101.98 107.61 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.914 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -158.58 172.63 17.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 71.31 111.16 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.09 -36.03 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 74.23 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.14 -25.14 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.887 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t 57.42 63.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.87 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -62.61 152.01 36.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -51.81 155.78 2.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 74.33 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.91 63.89 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.745 2.297 . . . . 75.52 112.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.943 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.491 -0.244 . . . . 65.35 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -90.69 159.05 41.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.652 0.739 . . . . 73.23 110.906 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.52 65.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 73.23 112.309 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.7 94.59 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -101.7 107.67 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.871 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -158.66 174.69 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.189 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.24 -36.24 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.983 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -86.24 -25.19 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 m 58.07 63.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 63.45 110.831 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.28 152.0 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.877 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -51.83 155.61 2.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 73.23 110.897 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 149.5 67.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.735 2.29 . . . . 75.43 112.381 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 72.25 110.95 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.516 -0.233 . . . . 74.24 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -91.23 158.87 40.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.615 0.721 . . . . 74.42 110.822 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.22 39.1 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.685 2.257 . . . . 73.54 112.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -115.2 142.95 45.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 74.02 110.82 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -89.55 107.44 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.983 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.16 168.21 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.112 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.61 -35.74 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 74.45 110.978 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -78.85 -24.76 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 72.11 110.932 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t 64.07 68.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.846 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -63.28 152.04 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -51.72 155.87 2.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.733 . . . . 72.43 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.35 47.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.766 2.31 . . . . 63.43 112.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.881 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.486 -0.246 . . . . 63.43 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.88 159.51 54.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 75.31 110.848 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.242 . . . . 75.21 112.374 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.75 106.88 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.821 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.21 121.25 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 72.15 110.852 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -142.46 -176.52 4.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 65.41 111.146 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.74 -35.4 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 73.53 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -93.75 17.84 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.872 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t 61.46 91.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 t -76.48 151.96 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -90.91 155.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 63.11 110.834 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 144.62 54.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.642 2.228 . . . . 74.44 112.397 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 73.01 110.876 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 74.14 112.539 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.4 mmm-85 -91.65 158.58 40.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 74.21 110.83 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 156.99 61.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 55.12 112.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 72.05 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -60.11 113.48 2.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 63.54 110.93 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.46 154.68 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 63.31 111.082 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 pp -54.94 -35.0 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.98 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -68.39 -24.32 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t 65.38 45.1 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.893 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 p -60.93 152.35 27.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 75.15 110.938 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -68.17 156.41 90.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.75 . . . . 73.12 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 147.48 62.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 64.11 112.367 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.3 110.86 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.549 -0.221 . . . . 61.55 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -91.69 158.51 40.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 71.42 110.85 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.83 62.27 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.724 2.283 . . . . 74.01 112.293 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.92 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -60.08 113.53 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.977 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.43 154.64 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 73.33 111.129 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.83 -35.07 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 72.25 110.958 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -68.45 -24.3 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.944 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t 65.42 45.16 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.797 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 p -60.92 152.4 27.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -68.24 156.36 90.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 75.21 110.901 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.2 62.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 75.31 112.347 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.841 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.501 -0.24 . . . . 72.23 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -91.7 158.27 40.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 72.31 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 156.83 62.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.242 . . . . 73.22 112.353 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.87 94.25 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.894 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -60.41 113.49 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.925 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -162.34 154.79 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.42 111.117 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.88 -35.11 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.897 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.38 -24.27 64.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.949 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t 65.35 45.14 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.884 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -61.01 152.4 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.852 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -68.29 156.34 90.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 73.11 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 147.54 62.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 73.32 112.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 73.54 110.855 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.512 -0.235 . . . . 73.32 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -77.47 153.67 81.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 73.02 110.873 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.19 62.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 74.12 112.353 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.5 t -119.65 95.91 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 51.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -101.29 107.6 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.81 176.82 11.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 74.32 111.158 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.15 -36.01 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.859 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.83 -25.1 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m 58.46 65.28 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.92 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -61.14 151.91 29.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.03 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -51.67 155.64 2.72 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.679 0.752 . . . . 74.5 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 144.5 54.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.751 2.301 . . . . 73.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.84 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.465 -0.254 . . . . 74.05 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.58 157.82 41.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 75.11 110.83 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.56 62.97 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 73.02 112.354 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 64.54 110.908 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -60.19 113.59 2.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.98 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.47 154.84 19.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 75.0 111.107 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.96 -35.11 63.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.895 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -68.39 -24.33 64.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 65.35 45.21 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.877 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -60.99 152.41 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.31 110.871 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.28 156.39 90.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 74.41 110.9 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 146.42 60.57 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.69 2.26 . . . . 75.21 112.332 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.92 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.404 -0.279 . . . . 70.53 112.404 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -91.39 154.36 44.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 75.15 110.911 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 152.39 69.27 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.726 2.284 . . . . 72.33 112.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.2 p -119.99 152.49 37.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 54.24 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -116.44 109.97 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.912 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.77 146.31 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 72.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.97 -2.04 57.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.863 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -93.13 17.91 10.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t 58.59 90.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.848 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -111.01 141.62 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.924 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -92.18 156.03 42.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.669 0.747 . . . . 64.52 110.871 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 142.88 48.87 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 71.2 112.331 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.865 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 72.53 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.5 mmt-85 -89.28 158.93 45.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.716 . . . . 74.21 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.61 128.33 16.01 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.77 2.313 . . . . 74.22 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.51 103.05 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 73.1 110.87 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -119.67 117.16 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.97 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -138.14 -175.92 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.25 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.0 -34.28 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 72.25 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -92.83 17.81 9.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 75.4 110.944 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t 57.69 77.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.875 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.5 t -64.29 151.88 42.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 72.44 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -90.06 155.65 47.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 74.14 110.84 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 149.06 66.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 75.01 112.419 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 75.3 110.873 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 71.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 74.31 110.875 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 75.02 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.41 111.069 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 65.13 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 75.51 112.323 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 63.5 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -91.51 158.52 40.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 73.54 110.819 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 139.1 39.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.751 2.3 . . . . 72.43 112.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -119.96 147.48 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.855 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -120.0 128.6 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.917 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 p -151.51 -177.95 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.126 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.0 -34.93 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.914 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -93.26 17.38 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.901 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 m 51.12 88.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 75.12 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.5 p -85.55 151.86 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 74.33 110.872 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.23 155.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 74.5 110.84 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.54 54.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 64.24 112.411 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.3 110.842 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.516 -0.234 . . . . 72.45 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.7 mtm-85 -91.13 155.76 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 74.01 110.866 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 63.23 112.334 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p -120.18 153.05 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 65.42 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -120.16 112.41 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.946 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.8 p -146.19 155.77 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 72.24 111.14 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 tp -85.15 -25.22 27.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.942 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -90.36 17.97 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 73.32 111.006 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t 63.76 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 64.5 110.866 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.36 140.42 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 74.22 110.856 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -83.53 154.99 65.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.666 0.746 . . . . 70.04 110.923 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.02 46.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 74.54 112.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.1 110.852 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.482 -0.247 . . . . 61.14 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -91.2 156.37 43.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 75.02 110.913 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 75.54 112.322 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 p -120.26 155.35 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.87 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -120.08 110.92 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 74.12 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -146.4 153.6 40.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 71.22 111.099 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -85.06 -23.73 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.912 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -91.01 18.11 7.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 72.32 110.885 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 64.01 105.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 62.4 110.829 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.32 140.46 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.842 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -83.0 155.14 67.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 73.12 110.87 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 141.14 44.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 65.41 112.368 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.7 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 64.3 110.907 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.547 -0.221 . . . . 74.54 112.547 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -90.42 159.52 41.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 74.34 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 130.97 20.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 74.43 112.377 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.7 93.77 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.859 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -120.35 107.16 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.923 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.0 p -151.63 171.22 17.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 63.24 111.106 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -55.31 -36.0 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.96 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -72.11 -20.79 61.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.95 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 67.45 46.87 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.5 p -61.06 151.83 29.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 75.05 110.838 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -78.5 155.76 78.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 73.1 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 151.27 68.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 65.04 112.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.43 110.847 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 73.21 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -69.77 159.6 83.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 74.33 110.821 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.753 2.302 . . . . 75.22 112.287 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.85 99.92 8.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 54.14 110.842 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.8 112.93 19.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 75.14 110.961 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.4 p -137.89 -177.86 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 74.34 111.129 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -38.43 90.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 74.13 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -95.9 17.38 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.906 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m 50.36 72.07 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.85 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.3 p -66.13 139.5 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 65.24 110.867 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -59.25 155.68 33.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 73.25 110.818 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 165.67 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.227 . . . . 72.34 112.339 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.864 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.456 -0.257 . . . . 73.0 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -90.86 159.39 40.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 72.43 110.836 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.0 10.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 74.15 112.368 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 63.0 110.875 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -119.99 122.1 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.894 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -151.0 178.59 9.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 74.35 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.81 -32.53 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 73.03 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.25 18.04 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 73.04 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.6 p 47.89 71.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 75.53 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.18 151.36 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 63.33 110.861 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -90.52 155.54 46.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.35 110.943 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.72 48.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.722 2.281 . . . . 74.31 112.344 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.31 110.905 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.552 -0.219 . . . . 42.13 112.552 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.95 153.36 45.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.531 0.681 . . . . 75.51 110.919 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.72 48.32 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.649 2.232 . . . . 73.34 112.295 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -120.07 152.22 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 73.34 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -120.12 110.22 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 73.25 110.918 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 p -142.97 156.57 44.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 73.44 111.165 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 mt -85.13 -25.41 27.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -90.32 17.88 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 72.42 110.914 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.78 104.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 72.32 110.907 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.26 140.55 46.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 73.12 110.85 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.32 155.07 63.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 63.53 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.05 49.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 72.42 112.359 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 74.53 110.886 179.855 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 71.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 74.31 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 75.02 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.41 111.069 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 74.23 110.881 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 65.13 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 75.51 112.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.581 -0.208 . . . . 73.4 112.581 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -90.52 159.46 41.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 72.24 110.895 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.65 63.27 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.628 2.219 . . . . 75.33 112.43 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t -119.67 94.44 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 63.41 110.888 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -101.98 107.61 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 73.22 110.914 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.1 p -158.58 172.63 17.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 71.31 111.16 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.09 -36.03 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 74.23 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.14 -25.14 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 71.44 110.887 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t 57.42 63.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 74.24 110.87 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -62.61 152.01 36.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -51.81 155.78 2.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 74.33 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.91 63.89 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.745 2.297 . . . . 75.52 112.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.943 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.491 -0.244 . . . . 65.35 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -90.69 159.05 41.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.652 0.739 . . . . 73.23 110.906 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.52 65.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 73.23 112.309 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.7 94.59 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -101.7 107.67 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 72.55 110.871 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.2 p -158.66 174.69 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.189 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.24 -36.24 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 75.41 110.983 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -86.24 -25.19 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.12 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 m 58.07 63.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 63.45 110.831 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.28 152.0 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.877 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -51.83 155.61 2.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 73.23 110.897 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 149.5 67.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.735 2.29 . . . . 75.43 112.381 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 72.25 110.95 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.516 -0.233 . . . . 74.24 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -91.23 158.87 40.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.615 0.721 . . . . 74.42 110.822 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.22 39.1 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.685 2.257 . . . . 73.54 112.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -115.2 142.95 45.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 74.02 110.82 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -89.55 107.44 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.983 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.16 168.21 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.34 111.112 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.61 -35.74 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 74.45 110.978 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -78.85 -24.76 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 72.11 110.932 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t 64.07 68.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.846 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -63.28 152.04 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -51.72 155.87 2.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.733 . . . . 72.43 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.35 47.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.766 2.31 . . . . 63.43 112.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.881 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.486 -0.246 . . . . 63.43 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.88 159.51 54.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 75.31 110.848 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.242 . . . . 75.21 112.374 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.75 106.88 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 73.22 110.821 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.21 121.25 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 72.15 110.852 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -142.46 -176.52 4.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 65.41 111.146 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.74 -35.4 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 73.53 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -93.75 17.84 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.872 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t 61.46 91.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 t -76.48 151.96 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -90.91 155.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 63.11 110.834 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 144.62 54.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.642 2.228 . . . . 74.44 112.397 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 73.01 110.876 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 74.14 112.539 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.4 mmm-85 -91.65 158.58 40.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 74.21 110.83 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 156.99 61.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 55.12 112.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 72.05 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -60.11 113.48 2.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 63.54 110.93 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.46 154.68 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 63.31 111.082 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 pp -54.94 -35.0 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 74.23 110.98 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -68.39 -24.32 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 74.45 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t 65.38 45.1 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.893 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 p -60.93 152.35 27.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 75.15 110.938 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -68.17 156.41 90.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.75 . . . . 73.12 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 147.48 62.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 64.11 112.367 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.3 110.86 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.549 -0.221 . . . . 61.55 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -91.69 158.51 40.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 71.42 110.85 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.83 62.27 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.724 2.283 . . . . 74.01 112.293 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.92 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -60.08 113.53 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.977 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.43 154.64 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 73.33 111.129 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.83 -35.07 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 72.25 110.958 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -68.45 -24.3 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.944 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t 65.42 45.16 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 74.24 110.797 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 p -60.92 152.4 27.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -68.24 156.36 90.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 75.21 110.901 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.2 62.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 75.31 112.347 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.841 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.501 -0.24 . . . . 72.23 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -91.7 158.27 40.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 72.31 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 156.83 62.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.242 . . . . 73.22 112.353 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.87 94.25 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.894 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -60.41 113.49 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 72.14 110.925 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -162.34 154.79 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.42 111.117 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.88 -35.11 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.897 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.38 -24.27 64.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.949 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t 65.35 45.14 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.884 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -61.01 152.4 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.852 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -68.29 156.34 90.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 73.11 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 147.54 62.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 73.32 112.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 73.54 110.855 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.512 -0.235 . . . . 73.32 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -77.47 153.67 81.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 73.02 110.873 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.19 62.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 74.12 112.353 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.5 t -119.65 95.91 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 51.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 -101.29 107.6 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.875 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -159.81 176.82 11.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 74.32 111.158 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.15 -36.01 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 71.44 110.859 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.83 -25.1 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 72.1 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m 58.46 65.28 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 75.11 110.92 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -61.14 151.91 29.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.03 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -51.67 155.64 2.72 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.679 0.752 . . . . 74.5 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 144.5 54.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.751 2.301 . . . . 73.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.84 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.465 -0.254 . . . . 74.05 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.58 157.82 41.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 75.11 110.83 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.56 62.97 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 73.02 112.354 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 64.54 110.908 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -60.19 113.59 2.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.98 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.47 154.84 19.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 75.0 111.107 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.96 -35.11 63.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.895 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -68.39 -24.33 64.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 75.41 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 65.35 45.21 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.23 110.877 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -60.99 152.41 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.31 110.871 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.28 156.39 90.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 74.41 110.9 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 146.42 60.57 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.69 2.26 . . . . 75.21 112.332 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.92 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.404 -0.279 . . . . 70.53 112.404 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -91.39 154.36 44.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 75.15 110.911 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 152.39 69.27 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.726 2.284 . . . . 72.33 112.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.2 p -119.99 152.49 37.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 54.24 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -116.44 109.97 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.912 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -162.77 146.31 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 72.0 111.16 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.97 -2.04 57.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 74.33 110.863 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -93.13 17.91 10.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 72.25 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t 58.59 90.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.848 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -111.01 141.62 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.924 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -92.18 156.03 42.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.669 0.747 . . . . 64.52 110.871 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 142.88 48.87 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 71.2 112.331 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.865 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 61.13 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.5 mmt-85 -89.28 158.93 45.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.716 . . . . 74.11 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.61 128.33 16.01 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.77 2.313 . . . . 74.12 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.51 103.05 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 73.1 110.87 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -119.67 117.16 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.97 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -138.14 -175.92 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.25 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.0 -34.28 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -92.83 17.81 9.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.944 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t 57.69 77.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.875 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.5 t -64.29 151.88 42.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -90.06 155.65 47.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 60.44 110.84 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 149.06 66.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 43.14 112.419 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 75.3 110.873 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 55.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 72.22 110.875 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.25 111.069 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 51.22 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 71.01 112.323 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 63.5 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -91.51 158.52 40.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 73.54 110.819 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 139.1 39.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.751 2.3 . . . . 52.35 112.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -119.96 147.48 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.855 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -120.0 128.6 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.917 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 p -151.51 -177.95 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.126 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.0 -34.93 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.914 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -93.26 17.38 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.901 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 m 51.12 88.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.5 p -85.55 151.86 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 54.24 110.872 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.23 155.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 73.04 110.84 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.54 54.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 64.24 112.411 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.3 110.842 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.516 -0.234 . . . . 53.03 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.7 mtm-85 -91.13 155.76 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 64.53 110.866 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 63.23 112.334 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p -120.18 153.05 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 65.42 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -120.16 112.41 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.946 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.8 p -146.19 155.77 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 52.13 111.14 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 tp -85.15 -25.22 27.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.942 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -90.36 17.97 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.43 111.006 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t 63.76 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 64.5 110.866 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.36 140.42 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 63.25 110.856 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -83.53 154.99 65.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.666 0.746 . . . . 70.04 110.923 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.02 46.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 72.01 112.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.1 110.852 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.482 -0.247 . . . . 61.14 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -91.2 156.37 43.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 73.52 110.913 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 75.54 112.322 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 p -120.26 155.35 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.87 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -120.08 110.92 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -146.4 153.6 40.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 71.22 111.099 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -85.06 -23.73 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.11 110.912 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -91.01 18.11 7.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 64.34 110.885 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 64.01 105.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 62.4 110.829 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.32 140.46 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.842 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -83.0 155.14 67.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 73.12 110.87 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 141.14 44.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 61.14 112.368 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.7 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 64.3 110.907 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.547 -0.221 . . . . 74.54 112.547 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -90.42 159.52 41.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 64.11 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 130.97 20.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 63.35 112.377 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.7 93.77 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.859 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -120.35 107.16 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.923 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.0 p -151.63 171.22 17.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 63.24 111.106 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -55.31 -36.0 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.96 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -72.11 -20.79 61.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.95 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 67.45 46.87 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.5 p -61.06 151.83 29.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 63.41 110.838 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -78.5 155.76 78.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 73.1 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 151.27 68.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 65.04 112.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.847 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 71.34 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -69.77 159.6 83.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 63.22 110.821 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.753 2.302 . . . . 75.22 112.287 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.85 99.92 8.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 43.44 110.842 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.8 112.93 19.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 72.13 110.961 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.4 p -137.89 -177.86 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 71.12 111.129 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -38.43 90.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -95.9 17.38 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.906 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m 50.36 72.07 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.85 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.3 p -66.13 139.5 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 65.24 110.867 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -59.25 155.68 33.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 73.25 110.818 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 165.67 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.227 . . . . 72.34 112.339 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.864 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.456 -0.257 . . . . 71.21 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -90.86 159.39 40.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 61.24 110.836 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.0 10.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 52.12 112.368 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 45.41 110.875 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -119.99 122.1 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.894 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -151.0 178.59 9.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 73.41 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.81 -32.53 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 62.14 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.25 18.04 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 73.04 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.6 p 47.89 71.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 75.53 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.18 151.36 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 53.33 110.861 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -90.52 155.54 46.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.35 110.943 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.72 48.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.722 2.281 . . . . 74.31 112.344 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.905 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.552 -0.219 . . . . 30.54 112.552 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.95 153.36 45.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.531 0.681 . . . . 51.22 110.919 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.72 48.32 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.649 2.232 . . . . 62.14 112.295 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -120.07 152.22 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 65.21 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -120.12 110.22 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 61.53 110.918 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 p -142.97 156.57 44.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 71.43 111.165 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 mt -85.13 -25.41 27.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -90.32 17.88 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 61.15 110.914 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.78 104.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 71.44 110.907 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.26 140.55 46.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 61.32 110.85 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.32 155.07 63.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 63.53 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.05 49.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 72.42 112.359 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 74.53 110.886 179.855 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 55.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 72.22 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.25 111.069 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.881 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 51.22 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 71.01 112.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.581 -0.208 . . . . 73.4 112.581 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -90.52 159.46 41.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 72.24 110.895 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.65 63.27 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.628 2.219 . . . . 74.23 112.43 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t -119.67 94.44 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 63.41 110.888 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' THR . 10.6 m-85 -101.98 107.61 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 61.14 110.914 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' TYR . 1.1 p -158.58 172.63 17.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 41.15 111.16 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.09 -36.03 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 71.33 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.14 -25.14 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 71.1 110.887 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t 57.42 63.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.87 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -62.61 152.01 36.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -51.81 155.78 2.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 71.4 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.91 63.89 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.745 2.297 . . . . 64.03 112.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.943 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.491 -0.244 . . . . 65.35 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -90.69 159.05 41.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.652 0.739 . . . . 73.23 110.906 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.52 65.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 73.11 112.309 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.7 94.59 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 m-85 -101.7 107.67 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.871 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' TYR . 1.2 p -158.66 174.69 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.189 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.24 -36.24 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.983 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -86.24 -25.19 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 70.43 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 m 58.07 63.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 51.15 110.831 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.28 152.0 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.877 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -51.83 155.61 2.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 63.54 110.897 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 149.5 67.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.735 2.29 . . . . 75.43 112.381 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 65.34 110.95 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.516 -0.233 . . . . 74.24 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -91.23 158.87 40.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.615 0.721 . . . . 74.42 110.822 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.22 39.1 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.685 2.257 . . . . 73.54 112.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -115.2 142.95 45.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 64.34 110.82 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.529 ' O ' HG23 ' A' ' 6' ' ' THR . 66.6 m-85 -89.55 107.44 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.983 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.16 168.21 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.3 111.112 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.61 -35.74 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 71.52 110.978 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -78.85 -24.76 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 72.11 110.932 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t 64.07 68.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.846 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -63.28 152.04 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -51.72 155.87 2.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.733 . . . . 72.43 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.35 47.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.766 2.31 . . . . 63.34 112.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.881 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.486 -0.246 . . . . 63.43 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.88 159.51 54.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 75.31 110.848 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.242 . . . . 74.45 112.374 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.75 106.88 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 64.05 110.821 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.21 121.25 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 72.15 110.852 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -142.46 -176.52 4.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 63.53 111.146 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.74 -35.4 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 72.41 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -93.75 17.84 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.872 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t 61.46 91.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 t -76.48 151.96 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -90.91 155.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 63.11 110.834 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 144.62 54.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.642 2.228 . . . . 72.22 112.397 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 73.01 110.876 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 74.14 112.539 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.4 mmm-85 -91.65 158.58 40.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 71.23 110.83 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 156.99 61.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 44.35 112.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 70.02 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.545 ' O ' HG23 ' A' ' 6' ' ' THR . 32.3 m-85 -60.11 113.48 2.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 63.54 110.93 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.46 154.68 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 63.31 111.082 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 pp -54.94 -35.0 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 52.44 110.98 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -68.39 -24.32 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t 65.38 45.1 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.893 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 p -60.93 152.35 27.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 63.32 110.938 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -68.17 156.41 90.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.75 . . . . 64.2 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 147.48 62.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 64.11 112.367 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.3 110.86 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.549 -0.221 . . . . 61.55 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -91.69 158.51 40.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 71.42 110.85 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.83 62.27 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.724 2.283 . . . . 74.01 112.293 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.92 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 42.4 m-85 -60.08 113.53 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.977 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.43 154.64 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 65.11 111.129 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.83 -35.07 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 33.53 110.958 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -68.45 -24.3 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.944 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t 65.42 45.16 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 52.42 110.797 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 p -60.92 152.4 27.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -68.24 156.36 90.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 75.21 110.901 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.2 62.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 61.15 112.347 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.841 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.501 -0.24 . . . . 72.23 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -91.7 158.27 40.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 72.31 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 156.83 62.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.242 . . . . 73.22 112.353 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.87 94.25 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.894 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 86.1 m-85 -60.41 113.49 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.925 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -162.34 154.79 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.42 111.117 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.88 -35.11 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.897 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.38 -24.27 64.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.949 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t 65.35 45.14 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.884 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -61.01 152.4 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.852 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -68.29 156.34 90.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 71.32 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 147.54 62.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 52.05 112.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 43.14 110.855 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.512 -0.235 . . . . 73.32 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -77.47 153.67 81.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 72.2 110.873 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.19 62.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 50.42 112.353 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.5 t -119.65 95.91 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 51.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.505 ' O ' HG23 ' A' ' 6' ' ' THR . 29.9 m-85 -101.29 107.6 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.875 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.9 OUTLIER -159.81 176.82 11.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 74.32 111.158 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.15 -36.01 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.859 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.83 -25.1 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 50.41 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m 58.46 65.28 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.92 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -61.14 151.91 29.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.03 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -51.67 155.64 2.72 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.679 0.752 . . . . 72.34 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 144.5 54.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.751 2.301 . . . . 73.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.84 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.465 -0.254 . . . . 52.11 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.58 157.82 41.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 72.11 110.83 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.56 62.97 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 73.02 112.354 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 62.35 110.908 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 33.2 m-85 -60.19 113.59 2.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.98 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.47 154.84 19.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 75.0 111.107 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.96 -35.11 63.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.895 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -68.39 -24.33 64.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 63.32 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 65.35 45.21 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.877 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -60.99 152.41 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.31 110.871 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.28 156.39 90.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 55.12 110.9 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 146.42 60.57 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.69 2.26 . . . . 62.53 112.332 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.92 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.404 -0.279 . . . . 51.33 112.404 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -91.39 154.36 44.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 75.15 110.911 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 152.39 69.27 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.726 2.284 . . . . 72.13 112.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.2 p -119.99 152.49 37.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 53.14 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.55 ' O ' HG23 ' A' ' 6' ' ' THR . 22.5 m-85 -116.44 109.97 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.912 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.77 146.31 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 72.0 111.16 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.97 -2.04 57.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.863 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -93.13 17.91 10.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.02 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t 58.59 90.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.848 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -111.01 141.62 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.924 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -92.18 156.03 42.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.669 0.747 . . . . 64.52 110.871 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 142.88 48.87 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 71.2 112.331 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.865 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 61.13 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.5 mmt-85 -89.28 158.93 45.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.716 . . . . 74.11 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.61 128.33 16.01 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.77 2.313 . . . . 74.12 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.51 103.05 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 73.1 110.87 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -119.67 117.16 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.97 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -138.14 -175.92 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.25 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.0 -34.28 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -92.83 17.81 9.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.944 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t 57.69 77.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.875 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.5 t -64.29 151.88 42.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -90.06 155.65 47.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 60.44 110.84 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 149.06 66.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 43.14 112.419 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 75.3 110.873 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 55.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 72.22 110.875 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.25 111.069 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 51.22 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 71.01 112.323 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 63.5 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -91.51 158.52 40.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 73.54 110.819 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 139.1 39.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.751 2.3 . . . . 52.35 112.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -119.96 147.48 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.855 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -120.0 128.6 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.917 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 p -151.51 -177.95 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.126 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.0 -34.93 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.914 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -93.26 17.38 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.901 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 m 51.12 88.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.5 p -85.55 151.86 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 54.24 110.872 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.23 155.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 73.04 110.84 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.54 54.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 64.24 112.411 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.3 110.842 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.516 -0.234 . . . . 53.03 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.7 mtm-85 -91.13 155.76 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 64.53 110.866 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 63.23 112.334 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p -120.18 153.05 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 65.42 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -120.16 112.41 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.946 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.8 p -146.19 155.77 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 52.13 111.14 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 tp -85.15 -25.22 27.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.942 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -90.36 17.97 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.43 111.006 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t 63.76 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 64.5 110.866 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.36 140.42 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 63.25 110.856 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -83.53 154.99 65.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.666 0.746 . . . . 70.04 110.923 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.02 46.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 72.01 112.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.1 110.852 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.482 -0.247 . . . . 61.14 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -91.2 156.37 43.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 73.52 110.913 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 75.54 112.322 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 p -120.26 155.35 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.87 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -120.08 110.92 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -146.4 153.6 40.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 71.22 111.099 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -85.06 -23.73 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.11 110.912 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -91.01 18.11 7.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 64.34 110.885 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 64.01 105.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 62.4 110.829 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.32 140.46 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.842 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -83.0 155.14 67.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 73.12 110.87 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 141.14 44.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 61.14 112.368 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.7 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 64.3 110.907 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.547 -0.221 . . . . 74.54 112.547 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -90.42 159.52 41.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 64.11 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 130.97 20.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 63.35 112.377 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.7 93.77 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.859 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -120.35 107.16 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.923 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.0 p -151.63 171.22 17.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 63.24 111.106 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -55.31 -36.0 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.96 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -72.11 -20.79 61.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.95 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 67.45 46.87 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.5 p -61.06 151.83 29.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 63.41 110.838 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -78.5 155.76 78.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 73.1 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 151.27 68.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 65.04 112.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.847 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 71.34 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -69.77 159.6 83.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 63.22 110.821 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.753 2.302 . . . . 75.22 112.287 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.85 99.92 8.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 43.44 110.842 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.8 112.93 19.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 72.13 110.961 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.4 p -137.89 -177.86 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 71.12 111.129 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -38.43 90.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -95.9 17.38 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.906 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m 50.36 72.07 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.85 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.3 p -66.13 139.5 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 65.24 110.867 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -59.25 155.68 33.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 73.25 110.818 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 165.67 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.227 . . . . 72.34 112.339 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.864 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.456 -0.257 . . . . 71.21 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -90.86 159.39 40.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 61.24 110.836 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.0 10.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 52.12 112.368 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 45.41 110.875 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -119.99 122.1 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.894 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -151.0 178.59 9.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 73.41 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.81 -32.53 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 62.14 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.25 18.04 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 73.04 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.6 p 47.89 71.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 75.53 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.18 151.36 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 53.33 110.861 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -90.52 155.54 46.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.35 110.943 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.72 48.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.722 2.281 . . . . 74.31 112.344 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.905 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.552 -0.219 . . . . 30.54 112.552 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.95 153.36 45.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.531 0.681 . . . . 51.22 110.919 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.72 48.32 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.649 2.232 . . . . 62.14 112.295 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -120.07 152.22 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 65.21 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -120.12 110.22 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 61.53 110.918 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 p -142.97 156.57 44.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 71.43 111.165 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 mt -85.13 -25.41 27.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -90.32 17.88 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 61.15 110.914 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.78 104.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 71.44 110.907 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.26 140.55 46.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 61.32 110.85 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.32 155.07 63.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 63.53 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.05 49.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 72.42 112.359 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 74.53 110.886 179.855 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 55.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 72.22 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.25 111.069 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.881 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 51.22 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 71.01 112.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.581 -0.208 . . . . 73.4 112.581 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -90.52 159.46 41.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 72.24 110.895 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.65 63.27 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.628 2.219 . . . . 74.23 112.43 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t -119.67 94.44 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 63.41 110.888 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' THR . 10.6 m-85 -101.98 107.61 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 61.14 110.914 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' TYR . 1.1 p -158.58 172.63 17.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 41.15 111.16 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.09 -36.03 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 71.33 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.14 -25.14 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 71.1 110.887 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t 57.42 63.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.87 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -62.61 152.01 36.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -51.81 155.78 2.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 71.4 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.91 63.89 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.745 2.297 . . . . 64.03 112.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.943 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.491 -0.244 . . . . 65.35 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -90.69 159.05 41.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.652 0.739 . . . . 73.23 110.906 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.52 65.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 73.11 112.309 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.7 94.59 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 m-85 -101.7 107.67 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.871 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' TYR . 1.2 p -158.66 174.69 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.189 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.24 -36.24 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.983 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -86.24 -25.19 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 70.43 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 m 58.07 63.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 51.15 110.831 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.28 152.0 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.877 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -51.83 155.61 2.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 63.54 110.897 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 149.5 67.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.735 2.29 . . . . 75.43 112.381 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 65.34 110.95 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.516 -0.233 . . . . 74.24 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -91.23 158.87 40.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.615 0.721 . . . . 74.42 110.822 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.22 39.1 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.685 2.257 . . . . 73.54 112.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -115.2 142.95 45.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 64.34 110.82 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.529 ' O ' HG23 ' A' ' 6' ' ' THR . 66.6 m-85 -89.55 107.44 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.983 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.16 168.21 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.3 111.112 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.61 -35.74 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 71.52 110.978 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -78.85 -24.76 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 72.11 110.932 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t 64.07 68.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.846 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -63.28 152.04 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -51.72 155.87 2.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.733 . . . . 72.43 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.35 47.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.766 2.31 . . . . 63.34 112.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.881 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.486 -0.246 . . . . 63.43 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.88 159.51 54.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 75.31 110.848 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.242 . . . . 74.45 112.374 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.75 106.88 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 64.05 110.821 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.21 121.25 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 72.15 110.852 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -142.46 -176.52 4.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 63.53 111.146 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.74 -35.4 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 72.41 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -93.75 17.84 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.872 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t 61.46 91.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 t -76.48 151.96 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -90.91 155.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 63.11 110.834 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 144.62 54.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.642 2.228 . . . . 72.22 112.397 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 73.01 110.876 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 74.14 112.539 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.4 mmm-85 -91.65 158.58 40.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 71.23 110.83 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 156.99 61.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 44.35 112.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 70.02 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.545 ' O ' HG23 ' A' ' 6' ' ' THR . 32.3 m-85 -60.11 113.48 2.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 63.54 110.93 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.46 154.68 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 63.31 111.082 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 pp -54.94 -35.0 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 52.44 110.98 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -68.39 -24.32 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t 65.38 45.1 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.893 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 p -60.93 152.35 27.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 63.32 110.938 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -68.17 156.41 90.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.75 . . . . 64.2 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 147.48 62.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 64.11 112.367 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.3 110.86 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.549 -0.221 . . . . 61.55 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -91.69 158.51 40.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 71.42 110.85 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.83 62.27 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.724 2.283 . . . . 74.01 112.293 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.92 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 42.4 m-85 -60.08 113.53 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.977 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.43 154.64 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 65.11 111.129 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.83 -35.07 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 33.53 110.958 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -68.45 -24.3 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.944 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t 65.42 45.16 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 52.42 110.797 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 p -60.92 152.4 27.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -68.24 156.36 90.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 75.21 110.901 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.2 62.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 61.15 112.347 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.841 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.501 -0.24 . . . . 72.23 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -91.7 158.27 40.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 72.31 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 156.83 62.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.242 . . . . 73.22 112.353 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.87 94.25 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.894 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 86.1 m-85 -60.41 113.49 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.925 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -162.34 154.79 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.42 111.117 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.88 -35.11 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.897 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.38 -24.27 64.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.949 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t 65.35 45.14 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.884 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -61.01 152.4 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.852 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -68.29 156.34 90.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 71.32 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 147.54 62.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 52.05 112.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 43.14 110.855 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.512 -0.235 . . . . 73.32 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -77.47 153.67 81.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 72.2 110.873 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.19 62.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 50.42 112.353 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.5 t -119.65 95.91 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 51.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.505 ' O ' HG23 ' A' ' 6' ' ' THR . 29.9 m-85 -101.29 107.6 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.875 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.9 OUTLIER -159.81 176.82 11.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 74.32 111.158 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.15 -36.01 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.859 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.83 -25.1 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 50.41 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m 58.46 65.28 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.92 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -61.14 151.91 29.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.03 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -51.67 155.64 2.72 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.679 0.752 . . . . 72.34 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 144.5 54.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.751 2.301 . . . . 73.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.84 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.465 -0.254 . . . . 52.11 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.58 157.82 41.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 72.11 110.83 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.56 62.97 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 73.02 112.354 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 62.35 110.908 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 33.2 m-85 -60.19 113.59 2.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.98 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.47 154.84 19.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 75.0 111.107 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.96 -35.11 63.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.895 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -68.39 -24.33 64.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 63.32 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 65.35 45.21 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.877 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -60.99 152.41 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.31 110.871 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.28 156.39 90.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 55.12 110.9 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 146.42 60.57 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.69 2.26 . . . . 62.53 112.332 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.92 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.404 -0.279 . . . . 51.33 112.404 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -91.39 154.36 44.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 75.15 110.911 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 152.39 69.27 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.726 2.284 . . . . 72.13 112.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.2 p -119.99 152.49 37.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 53.14 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.55 ' O ' HG23 ' A' ' 6' ' ' THR . 22.5 m-85 -116.44 109.97 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.912 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.77 146.31 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 72.0 111.16 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.97 -2.04 57.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.863 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -93.13 17.91 10.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.02 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t 58.59 90.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.848 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -111.01 141.62 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.924 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -92.18 156.03 42.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.669 0.747 . . . . 64.52 110.871 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 142.88 48.87 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 71.2 112.331 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.865 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 61.13 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.5 mmt-85 -89.28 158.93 45.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.716 . . . . 74.11 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.61 128.33 16.01 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.77 2.313 . . . . 74.12 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.51 103.05 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 73.1 110.87 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -119.67 117.16 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.97 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -138.14 -175.92 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.25 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.0 -34.28 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -92.83 17.81 9.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.944 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t 57.69 77.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.875 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.5 t -64.29 151.88 42.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -90.06 155.65 47.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 60.44 110.84 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 149.06 66.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 43.14 112.419 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 75.3 110.873 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 55.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 72.22 110.875 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.25 111.069 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 51.22 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 71.01 112.323 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 63.5 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -91.51 158.52 40.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 73.54 110.819 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 139.1 39.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.751 2.3 . . . . 52.35 112.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -119.96 147.48 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.855 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -120.0 128.6 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.917 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 p -151.51 -177.95 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.126 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.0 -34.93 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.914 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -93.26 17.38 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.901 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 m 51.12 88.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.5 p -85.55 151.86 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 54.24 110.872 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.23 155.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 73.04 110.84 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.54 54.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 64.24 112.411 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.3 110.842 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.516 -0.234 . . . . 53.03 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.7 mtm-85 -91.13 155.76 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 64.53 110.866 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 63.23 112.334 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p -120.18 153.05 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 65.42 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -120.16 112.41 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.946 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.8 p -146.19 155.77 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 52.13 111.14 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 tp -85.15 -25.22 27.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.942 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -90.36 17.97 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.43 111.006 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t 63.76 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 64.5 110.866 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.36 140.42 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 63.25 110.856 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -83.53 154.99 65.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.666 0.746 . . . . 70.04 110.923 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.02 46.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 72.01 112.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.1 110.852 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.482 -0.247 . . . . 61.14 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -91.2 156.37 43.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 73.52 110.913 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 75.54 112.322 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 p -120.26 155.35 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.87 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -120.08 110.92 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -146.4 153.6 40.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 71.22 111.099 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -85.06 -23.73 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.11 110.912 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -91.01 18.11 7.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 64.34 110.885 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 64.01 105.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 62.4 110.829 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.32 140.46 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.842 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -83.0 155.14 67.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 73.12 110.87 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 141.14 44.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 61.14 112.368 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.7 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 64.3 110.907 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.547 -0.221 . . . . 74.54 112.547 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -90.42 159.52 41.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 64.11 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 130.97 20.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 63.35 112.377 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.7 93.77 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.859 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -120.35 107.16 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.923 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.0 p -151.63 171.22 17.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 63.24 111.106 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -55.31 -36.0 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.96 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -72.11 -20.79 61.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.95 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 67.45 46.87 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.5 p -61.06 151.83 29.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 63.41 110.838 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -78.5 155.76 78.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 73.1 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 151.27 68.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 65.04 112.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.847 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 71.34 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -69.77 159.6 83.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 63.22 110.821 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.753 2.302 . . . . 75.22 112.287 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.85 99.92 8.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 43.44 110.842 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.8 112.93 19.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 72.13 110.961 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.4 p -137.89 -177.86 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 71.12 111.129 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -38.43 90.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -95.9 17.38 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.906 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m 50.36 72.07 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.85 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.3 p -66.13 139.5 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 65.24 110.867 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -59.25 155.68 33.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 73.25 110.818 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 165.67 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.227 . . . . 72.34 112.339 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.864 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.456 -0.257 . . . . 71.21 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -90.86 159.39 40.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 61.24 110.836 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.0 10.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 52.12 112.368 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 45.41 110.875 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -119.99 122.1 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.894 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -151.0 178.59 9.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 73.41 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.81 -32.53 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 62.14 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.25 18.04 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 73.04 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.6 p 47.89 71.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 75.53 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.18 151.36 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 53.33 110.861 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -90.52 155.54 46.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.35 110.943 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.72 48.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.722 2.281 . . . . 74.31 112.344 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.905 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.552 -0.219 . . . . 30.54 112.552 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.95 153.36 45.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.531 0.681 . . . . 51.22 110.919 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.72 48.32 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.649 2.232 . . . . 62.14 112.295 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -120.07 152.22 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 65.21 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -120.12 110.22 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 61.53 110.918 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 p -142.97 156.57 44.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 71.43 111.165 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 mt -85.13 -25.41 27.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -90.32 17.88 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 61.15 110.914 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.78 104.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 71.44 110.907 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.26 140.55 46.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 61.32 110.85 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.32 155.07 63.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 63.53 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.05 49.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 72.42 112.359 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 74.53 110.886 179.855 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 55.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 72.22 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.25 111.069 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.881 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 51.22 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 71.01 112.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.581 -0.208 . . . . 73.4 112.581 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -90.52 159.46 41.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 72.24 110.895 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.65 63.27 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.628 2.219 . . . . 74.23 112.43 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t -119.67 94.44 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 63.41 110.888 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' THR . 10.6 m-85 -101.98 107.61 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 61.14 110.914 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' TYR . 1.1 p -158.58 172.63 17.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 41.15 111.16 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.09 -36.03 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 71.33 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.14 -25.14 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 71.1 110.887 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t 57.42 63.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.87 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -62.61 152.01 36.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -51.81 155.78 2.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 71.4 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.91 63.89 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.745 2.297 . . . . 64.03 112.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.943 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.491 -0.244 . . . . 65.35 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -90.69 159.05 41.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.652 0.739 . . . . 73.23 110.906 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.52 65.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 73.11 112.309 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.7 94.59 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 m-85 -101.7 107.67 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.871 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' TYR . 1.2 p -158.66 174.69 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.189 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.24 -36.24 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.983 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -86.24 -25.19 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 70.43 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 m 58.07 63.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 51.15 110.831 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.28 152.0 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.877 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -51.83 155.61 2.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 63.54 110.897 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 149.5 67.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.735 2.29 . . . . 75.43 112.381 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 65.34 110.95 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.516 -0.233 . . . . 74.24 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -91.23 158.87 40.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.615 0.721 . . . . 74.42 110.822 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.22 39.1 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.685 2.257 . . . . 73.54 112.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -115.2 142.95 45.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 64.34 110.82 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.529 ' O ' HG23 ' A' ' 6' ' ' THR . 66.6 m-85 -89.55 107.44 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.983 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.16 168.21 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.3 111.112 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.61 -35.74 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 71.52 110.978 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -78.85 -24.76 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 72.11 110.932 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t 64.07 68.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.846 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -63.28 152.04 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -51.72 155.87 2.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.733 . . . . 72.43 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.35 47.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.766 2.31 . . . . 63.34 112.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.881 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.486 -0.246 . . . . 63.43 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.88 159.51 54.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 75.31 110.848 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.242 . . . . 74.45 112.374 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.75 106.88 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 64.05 110.821 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.21 121.25 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 72.15 110.852 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -142.46 -176.52 4.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 63.53 111.146 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.74 -35.4 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 72.41 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -93.75 17.84 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.872 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t 61.46 91.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 t -76.48 151.96 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -90.91 155.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 63.11 110.834 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 144.62 54.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.642 2.228 . . . . 72.22 112.397 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 73.01 110.876 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 74.14 112.539 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.4 mmm-85 -91.65 158.58 40.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 71.23 110.83 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 156.99 61.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 44.35 112.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 70.02 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.545 ' O ' HG23 ' A' ' 6' ' ' THR . 32.3 m-85 -60.11 113.48 2.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 63.54 110.93 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.46 154.68 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 63.31 111.082 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 pp -54.94 -35.0 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 52.44 110.98 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -68.39 -24.32 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t 65.38 45.1 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.893 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 p -60.93 152.35 27.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 63.32 110.938 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -68.17 156.41 90.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.75 . . . . 64.2 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 147.48 62.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 64.11 112.367 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.3 110.86 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.549 -0.221 . . . . 61.55 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -91.69 158.51 40.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 71.42 110.85 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.83 62.27 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.724 2.283 . . . . 74.01 112.293 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.92 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 42.4 m-85 -60.08 113.53 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.977 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.43 154.64 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 65.11 111.129 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.83 -35.07 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 33.53 110.958 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -68.45 -24.3 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.944 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t 65.42 45.16 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 52.42 110.797 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 p -60.92 152.4 27.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -68.24 156.36 90.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 75.21 110.901 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.2 62.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 61.15 112.347 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.841 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.501 -0.24 . . . . 72.23 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -91.7 158.27 40.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 72.31 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 156.83 62.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.242 . . . . 73.22 112.353 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.87 94.25 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.894 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 86.1 m-85 -60.41 113.49 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.925 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -162.34 154.79 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.42 111.117 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.88 -35.11 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.897 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.38 -24.27 64.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.949 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t 65.35 45.14 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.884 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -61.01 152.4 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.852 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -68.29 156.34 90.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 71.32 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 147.54 62.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 52.05 112.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 43.14 110.855 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.512 -0.235 . . . . 73.32 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -77.47 153.67 81.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 72.2 110.873 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.19 62.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 50.42 112.353 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.5 t -119.65 95.91 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 51.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.505 ' O ' HG23 ' A' ' 6' ' ' THR . 29.9 m-85 -101.29 107.6 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.875 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.9 OUTLIER -159.81 176.82 11.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 74.32 111.158 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.15 -36.01 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.859 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.83 -25.1 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 50.41 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m 58.46 65.28 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.92 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -61.14 151.91 29.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.03 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -51.67 155.64 2.72 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.679 0.752 . . . . 72.34 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 144.5 54.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.751 2.301 . . . . 73.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.84 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.465 -0.254 . . . . 52.11 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.58 157.82 41.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 72.11 110.83 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.56 62.97 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 73.02 112.354 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 62.35 110.908 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 33.2 m-85 -60.19 113.59 2.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.98 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.47 154.84 19.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 75.0 111.107 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.96 -35.11 63.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.895 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -68.39 -24.33 64.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 63.32 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 65.35 45.21 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.877 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -60.99 152.41 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.31 110.871 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.28 156.39 90.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 55.12 110.9 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 146.42 60.57 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.69 2.26 . . . . 62.53 112.332 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.92 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.404 -0.279 . . . . 51.33 112.404 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -91.39 154.36 44.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 75.15 110.911 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 152.39 69.27 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.726 2.284 . . . . 72.13 112.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.2 p -119.99 152.49 37.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 53.14 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.55 ' O ' HG23 ' A' ' 6' ' ' THR . 22.5 m-85 -116.44 109.97 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.912 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.77 146.31 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 72.0 111.16 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.97 -2.04 57.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.863 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -93.13 17.91 10.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.02 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t 58.59 90.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.848 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -111.01 141.62 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.924 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -92.18 156.03 42.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.669 0.747 . . . . 64.52 110.871 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 142.88 48.87 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 71.2 112.331 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.865 179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 61.13 112.515 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.5 mmt-85 -89.28 158.93 45.67 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.605 0.716 . . . . 74.11 110.887 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.61 128.33 16.01 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.77 2.313 . . . . 74.12 112.357 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 1.5 t -119.51 103.05 9.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 73.1 110.87 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -119.67 117.16 27.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.456 . . . . 75.51 110.97 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 71.6 p -138.14 -175.92 4.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 71.25 111.158 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.0 -34.28 75.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.893 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 62.6 mt-30 -92.83 17.81 9.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 74.31 110.944 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.3 t 57.69 77.62 0.27 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 74.44 110.875 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.5 t -64.29 151.88 42.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.484 . . . . 72.04 110.897 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 -90.06 155.65 47.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 60.44 110.84 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 149.06 66.25 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 43.14 112.419 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 75.3 110.873 179.973 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 55.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 72.22 110.875 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.909 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.25 111.069 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.881 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 51.22 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 71.01 112.323 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.528 -0.229 . . . . 63.5 112.528 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 6.9 mtp180 -91.51 158.52 40.51 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.645 0.736 . . . . 73.54 110.819 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 139.1 39.31 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.751 2.3 . . . . 52.35 112.303 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -119.96 147.48 44.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 75.13 110.855 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.6 m-85 -120.0 128.6 53.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 73.34 110.917 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 28.1 p -151.51 -177.95 6.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.142 -0.481 . . . . 64.41 111.126 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.0 -34.93 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 75.11 110.914 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -93.26 17.38 11.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 74.13 110.901 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.4 m 51.12 88.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 72.13 110.862 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 25.5 p -85.55 151.86 23.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 54.24 110.872 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -79.23 155.42 76.96 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 73.04 110.84 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 144.54 54.61 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 64.24 112.411 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 70.3 110.842 179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.516 -0.234 . . . . 53.03 112.516 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 74.7 mtm-85 -91.13 155.76 44.44 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.565 0.698 . . . . 64.53 110.866 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 143.31 50.55 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.685 2.257 . . . . 63.23 112.334 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.3 p -120.18 153.05 36.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 65.42 110.918 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 71.4 m-85 -120.16 112.41 19.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 74.41 110.946 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.8 p -146.19 155.77 42.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.159 -0.473 . . . . 52.13 111.14 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 25.0 tp -85.15 -25.22 27.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 74.1 110.942 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -90.36 17.97 6.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 72.43 111.006 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.2 t 63.76 105.24 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 64.5 110.866 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 t -112.36 140.42 47.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 63.25 110.856 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 29.9 m-85 -83.53 154.99 65.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.666 0.746 . . . . 70.04 110.923 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 142.02 46.99 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.714 2.276 . . . . 72.01 112.316 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 63.1 110.852 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.482 -0.247 . . . . 61.14 112.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -91.2 156.37 43.87 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.587 0.708 . . . . 73.52 110.913 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.78 145.26 56.5 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.68 2.253 . . . . 75.54 112.322 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 23.7 p -120.26 155.35 33.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.45 . . . . 74.33 110.87 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -120.08 110.92 17.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.171 -0.468 . . . . 73.04 110.916 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.2 p -146.4 153.6 40.67 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.062 -0.517 . . . . 71.22 111.099 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -85.06 -23.73 28.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 64.11 110.912 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 -91.01 18.11 7.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 64.34 110.885 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 m 64.01 105.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 62.4 110.829 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.32 140.46 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 74.41 110.842 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.2 m-85 -83.0 155.14 67.67 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 73.12 110.87 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 141.14 44.53 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.714 2.276 . . . . 61.14 112.368 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 52.7 t0 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 64.3 110.907 179.886 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.547 -0.221 . . . . 74.54 112.547 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 29.9 mtp180 -90.42 159.52 41.39 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.602 0.715 . . . . 64.11 110.895 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -69.69 130.97 20.36 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.697 2.265 . . . . 63.35 112.377 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.7 93.77 4.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 75.34 110.859 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 40.9 m-85 -120.35 107.16 12.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.923 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 77.0 p -151.63 171.22 17.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 63.24 111.106 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.4 mp -55.31 -36.0 65.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.43 110.96 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -72.11 -20.79 61.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 74.12 110.95 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.1 t 67.45 46.87 1.33 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 63.53 110.823 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.5 p -61.06 151.83 29.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.114 -0.494 . . . . 63.41 110.838 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -78.5 155.76 78.63 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.653 0.74 . . . . 73.1 110.876 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 151.27 68.91 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.668 2.245 . . . . 65.04 112.34 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.847 179.884 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.482 -0.247 . . . . 71.34 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mtt85 -69.77 159.6 83.31 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.685 0.755 . . . . 63.22 110.821 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 123.25 9.91 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.753 2.302 . . . . 75.22 112.287 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.85 99.92 8.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 43.44 110.842 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -119.8 112.93 19.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.484 . . . . 72.13 110.961 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.4 p -137.89 -177.86 5.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 71.12 111.129 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.75 -38.43 90.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 73.2 110.884 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 -95.9 17.38 15.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.906 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 m 50.36 72.07 0.36 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 72.43 110.85 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 26.3 p -66.13 139.5 58.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.488 . . . . 65.24 110.867 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -59.25 155.68 33.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.693 0.758 . . . . 73.25 110.818 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 165.67 30.14 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 2.227 . . . . 72.34 112.339 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 73.35 110.864 179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.456 -0.257 . . . . 71.21 112.456 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -90.86 159.39 40.44 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.637 0.732 . . . . 61.24 110.836 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 124.0 10.66 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 52.12 112.368 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -119.72 96.07 5.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 45.41 110.875 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -119.99 122.1 40.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 73.43 110.894 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 72.2 p -151.0 178.59 9.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.064 -0.516 . . . . 73.41 111.1 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.81 -32.53 69.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.139 -0.482 . . . . 62.14 110.87 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -92.25 18.04 8.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 73.04 110.894 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 91.6 p 47.89 71.55 0.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.45 . . . . 75.53 110.838 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 34.2 t -61.18 151.36 31.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 53.33 110.861 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -90.52 155.54 46.01 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 73.35 110.943 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.72 48.7 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.722 2.281 . . . . 74.31 112.344 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 43.1 m-20 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 72.13 110.905 179.919 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.552 -0.219 . . . . 30.54 112.552 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.95 153.36 45.04 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.531 0.681 . . . . 51.22 110.919 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 142.72 48.32 Favored 'Trans proline' 0 C--N 1.34 0.127 0 C-N-CA 122.649 2.232 . . . . 62.14 112.295 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 26.7 p -120.07 152.22 37.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 65.21 110.891 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -120.12 110.22 16.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.13 -0.486 . . . . 61.53 110.918 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 p -142.97 156.57 44.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.111 -0.495 . . . . 71.43 111.165 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 11.6 mt -85.13 -25.41 27.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 71.5 110.872 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -90.32 17.88 6.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 61.15 110.914 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 63.78 104.86 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 71.44 110.907 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.5 t -112.26 140.55 46.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.475 . . . . 61.32 110.85 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -84.32 155.07 63.32 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.685 0.755 . . . . 63.53 110.848 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 143.05 49.86 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.662 2.241 . . . . 72.42 112.359 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 p30 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 74.53 110.886 179.855 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.447 -0.261 . . . . 74.41 112.447 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.1 mtm180 -74.71 159.64 82.75 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.591 0.71 . . . . 74.52 110.909 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 123.2 9.86 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.716 2.277 . . . . 55.11 112.294 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.2 t -112.71 97.55 6.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 72.22 110.875 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -119.86 107.9 13.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 74.21 110.909 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 41.2 p -135.23 -177.48 4.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.25 111.069 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.7 mp -65.78 -35.41 80.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.33 110.917 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -93.3 17.43 11.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.881 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 81.3 p 47.79 61.48 2.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.265 -0.425 . . . . 71.24 110.871 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 28.6 p -61.14 138.2 58.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 51.22 110.876 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -63.63 155.7 75.0 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.623 0.725 . . . . 74.33 110.92 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 165.72 30.01 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.716 2.277 . . . . 71.01 112.323 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.53 110.901 179.929 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.581 -0.208 . . . . 73.4 112.581 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -90.52 159.46 41.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.664 0.745 . . . . 72.24 110.895 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 147.65 63.27 Favored 'Trans proline' 0 C--N 1.343 0.245 0 C-N-CA 122.628 2.219 . . . . 74.23 112.43 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 39.4 t -119.67 94.44 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.262 -0.426 . . . . 63.41 110.888 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' THR . 10.6 m-85 -101.98 107.61 18.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 61.14 110.914 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' TYR . 1.1 p -158.58 172.63 17.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.161 -0.472 . . . . 41.15 111.16 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.09 -36.03 72.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 71.33 110.923 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -86.14 -25.14 25.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 71.1 110.887 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.4 t 57.42 63.62 1.81 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.228 -0.442 . . . . 70.45 110.87 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -62.61 152.01 36.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 72.13 110.907 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 12.7 m-85 -51.81 155.78 2.8 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.647 0.737 . . . . 71.4 110.866 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 147.91 63.89 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.745 2.297 . . . . 64.03 112.352 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 74.23 110.943 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.491 -0.244 . . . . 65.35 112.491 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 11.2 mmt180 -90.69 159.05 41.62 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.652 0.739 . . . . 73.23 110.906 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.76 148.52 65.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.654 2.236 . . . . 73.11 112.309 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 42.7 t -119.7 94.59 4.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.887 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 6' ' ' THR . 18.0 m-85 -101.7 107.67 18.96 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.871 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.479 HG23 ' O ' ' A' ' 5' ' ' TYR . 1.2 p -158.66 174.69 14.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.149 -0.478 . . . . 74.44 111.189 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.24 -36.24 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.983 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.5 mm100 -86.24 -25.19 25.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 70.43 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.6 m 58.07 63.04 1.86 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 51.15 110.831 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.8 p -61.28 152.0 30.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 75.23 110.877 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -51.83 155.61 2.91 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.696 0.76 . . . . 63.54 110.897 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.7 Cg_endo -69.67 149.5 67.54 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.735 2.29 . . . . 75.43 112.381 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.0 p30 . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 65.34 110.95 179.869 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.372 0 N-CA-C 112.516 -0.233 . . . . 74.24 112.516 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.6 mmt85 -91.23 158.87 40.59 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 121.615 0.721 . . . . 74.42 110.822 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 163.22 39.1 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.685 2.257 . . . . 73.54 112.276 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 17.1 p -115.2 142.95 45.97 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.181 -0.463 . . . . 64.34 110.82 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.529 ' O ' HG23 ' A' ' 6' ' ' THR . 66.6 m-85 -89.55 107.44 19.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.41 110.983 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.529 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.16 168.21 22.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 75.3 111.112 -179.924 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 23.0 tp -72.61 -35.74 67.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.253 -0.431 . . . . 71.52 110.978 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 59.0 mt-30 -78.85 -24.76 44.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 72.11 110.932 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t 64.07 68.04 0.58 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.846 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.4 p -63.28 152.04 38.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 71.31 110.88 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -51.72 155.87 2.65 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.638 0.733 . . . . 72.43 110.857 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 142.35 47.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.766 2.31 . . . . 63.34 112.322 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t0 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.881 179.906 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.486 -0.246 . . . . 63.43 112.486 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.88 159.51 54.52 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.634 0.731 . . . . 75.31 110.848 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 129.13 17.09 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.242 . . . . 74.45 112.374 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -119.75 106.88 12.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 64.05 110.821 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 35.5 m-85 -119.21 121.25 39.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 72.15 110.852 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.2 p -142.46 -176.52 4.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.062 -0.517 . . . . 63.53 111.146 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.74 -35.4 65.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 72.41 110.914 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -93.75 17.84 11.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.43 110.872 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t 61.46 91.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 71.21 110.839 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 14.2 t -76.48 151.96 36.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 74.3 110.897 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -90.91 155.74 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.671 0.748 . . . . 63.11 110.834 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 144.62 54.53 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.642 2.228 . . . . 72.22 112.397 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p30 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 73.01 110.876 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.539 -0.224 . . . . 74.14 112.539 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 25.4 mmm-85 -91.65 158.58 40.1 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 71.23 110.83 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 156.99 61.8 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.708 2.272 . . . . 44.35 112.323 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 70.02 110.864 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.545 ' O ' HG23 ' A' ' 6' ' ' THR . 32.3 m-85 -60.11 113.48 2.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 63.54 110.93 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.545 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.46 154.68 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 63.31 111.082 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.6 pp -54.94 -35.0 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 52.44 110.98 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -68.39 -24.32 64.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 73.41 110.902 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 t 65.38 45.1 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 74.33 110.893 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.5 p -60.93 152.35 27.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 63.32 110.938 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -68.17 156.41 90.0 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.676 0.75 . . . . 64.2 110.867 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.85 147.48 62.41 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 64.11 112.367 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.3 110.86 179.952 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 N-CA-C 112.549 -0.221 . . . . 61.55 112.549 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 27.5 mtm180 -91.69 158.51 40.14 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.601 0.715 . . . . 71.42 110.85 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.83 62.27 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.724 2.283 . . . . 74.01 112.293 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.92 94.14 4.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 72.22 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 42.4 m-85 -60.08 113.53 2.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.977 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.43 154.64 18.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.063 -0.517 . . . . 65.11 111.129 -179.927 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.83 -35.07 63.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 33.53 110.958 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -68.45 -24.3 64.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 71.31 110.944 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 t 65.42 45.16 2.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 52.42 110.797 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.4 p -60.92 152.4 27.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.165 -0.471 . . . . 73.11 110.886 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -68.24 156.36 90.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.582 0.706 . . . . 75.21 110.901 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 147.2 62.45 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.726 2.284 . . . . 61.15 112.347 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 53.6 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 73.42 110.841 179.928 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.501 -0.24 . . . . 72.23 112.501 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.9 mmt85 -91.7 158.27 40.49 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.646 0.736 . . . . 72.31 110.881 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 156.83 62.46 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.664 2.242 . . . . 73.22 112.353 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.87 94.25 4.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 73.3 110.894 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 86.1 m-85 -60.41 113.49 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 62.11 110.925 -179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.8 OUTLIER -162.34 154.79 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 71.42 111.117 -179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.2 mp -54.88 -35.11 63.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.897 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -68.38 -24.27 64.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.436 . . . . 74.14 110.949 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t 65.35 45.14 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 74.3 110.884 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -61.01 152.4 28.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 64.23 110.852 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -68.29 156.34 90.38 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.641 0.734 . . . . 71.32 110.873 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 147.54 62.92 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.72 2.28 . . . . 52.05 112.285 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 43.14 110.855 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.512 -0.235 . . . . 73.32 112.512 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.1 mtm180 -77.47 153.67 81.52 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.623 0.725 . . . . 72.2 110.873 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 147.19 62.34 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.258 . . . . 50.42 112.353 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 53.5 t -119.65 95.91 4.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 51.22 110.843 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.505 ' O ' HG23 ' A' ' 6' ' ' THR . 29.9 m-85 -101.29 107.6 19.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 75.23 110.875 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.505 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.9 OUTLIER -159.81 176.82 11.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 74.32 111.158 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -64.15 -36.01 82.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 65.31 110.859 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -86.83 -25.1 24.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 50.41 110.936 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.2 m 58.46 65.28 1.29 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 73.14 110.92 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 11.6 p -61.14 151.91 29.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 75.03 110.874 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -51.67 155.64 2.72 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-O 121.679 0.752 . . . . 72.34 110.9 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 144.5 54.51 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.751 2.301 . . . . 73.0 112.342 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 72.41 110.84 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.465 -0.254 . . . . 52.11 112.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mtt85 -91.58 157.82 41.42 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.606 0.717 . . . . 72.11 110.83 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 156.56 62.97 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.72 2.28 . . . . 73.02 112.354 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.8 p -119.93 94.14 4.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.208 -0.451 . . . . 62.35 110.908 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.542 ' O ' HG23 ' A' ' 6' ' ' THR . 33.2 m-85 -60.19 113.59 2.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.107 -0.497 . . . . 74.43 110.98 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.47 154.84 19.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.095 -0.502 . . . . 75.0 111.107 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.6 mp -54.96 -35.11 63.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.895 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 18.0 mp0 -68.39 -24.33 64.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 63.32 110.916 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.1 t 65.35 45.21 2.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.877 -179.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 9.3 p -60.99 152.41 27.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 74.31 110.871 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -68.28 156.39 90.27 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 55.12 110.9 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.69 146.42 60.57 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.69 2.26 . . . . 62.53 112.332 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.202 -0.454 . . . . 72.34 110.92 179.895 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.404 -0.279 . . . . 51.33 112.404 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -91.39 154.36 44.46 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.602 0.715 . . . . 75.15 110.911 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 152.39 69.27 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.726 2.284 . . . . 72.13 112.326 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.2 p -119.99 152.49 37.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.474 . . . . 53.14 110.916 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.55 ' O ' HG23 ' A' ' 6' ' ' THR . 22.5 m-85 -116.44 109.97 18.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.42 110.912 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 5' ' ' TYR . 0.7 OUTLIER -162.77 146.31 11.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 72.0 111.16 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.8 mt -84.97 -2.04 57.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 72.44 110.863 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 10.7 mt-30 -93.13 17.91 10.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 71.02 110.864 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t 58.59 90.25 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 73.42 110.848 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.5 t -111.01 141.62 44.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.55 110.924 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -92.18 156.03 42.3 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.669 0.747 . . . . 64.52 110.871 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 142.88 48.87 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.66 2.24 . . . . 71.2 112.331 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 72.32 110.865 179.979 . . . . . . . . 0 0 . 1 stop_ save_