data_1fyg_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 1fyg _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.572 0 CA-C-O 115.331 -2.271 . . . . 0.0 105.438 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.74 50.38 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 123.24 2.745 . . . . 0.0 108.108 -175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.31 137.9 56.82 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.703 -173.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.59 -7.19 33.94 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-O 116.779 -2.123 . . . . 0.0 113.293 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 166.23 11.57 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-N 120.163 1.982 . . . . 0.0 110.871 -175.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -56.08 110.15 0.53 Allowed 'Trans proline' 0 C--N 1.367 1.539 0 N-CA-C 116.893 1.843 . . . . 0.0 116.893 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.294 17.8 p -127.03 152.43 47.28 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.8 168.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -117.39 131.24 56.81 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -62.64 6.57 0.09 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 pt -92.67 -35.75 7.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 121.421 1.919 . . . . 0.0 108.922 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.71 106.55 13.18 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -110.16 113.01 25.35 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.61 72.79 1.46 Allowed 'General case' 0 C--N 1.357 0.914 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 160.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.4 m -96.27 164.73 12.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.088 1.767 . . . . 0.0 110.706 -172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -76.04 0.07 Allowed 'General case' 0 C--N 1.36 1.027 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 169.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.6 p -132.99 137.79 46.64 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 116.698 -1.62 . . . . 0.0 110.129 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.64 -159.92 24.05 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-N 120.519 1.509 . . . . 0.0 113.477 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -125.47 139.25 53.79 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-O 117.078 -1.439 . . . . 0.0 109.169 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 m -88.87 121.67 31.47 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.266 1.394 . . . . 0.0 107.596 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -119.37 146.99 44.86 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -41.22 80.94 0.0 OUTLIER 'General case' 0 C--N 1.349 0.547 0 CA-C-N 120.916 1.689 . . . . 0.0 113.934 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 117.05 -19.22 12.03 Favored Glycine 0 C--N 1.357 1.746 0 CA-C-O 116.947 -2.03 . . . . 0.0 115.895 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -116.47 138.9 51.01 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 121.612 2.706 . . . . 0.0 109.271 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.363 1.165 0 CA-C-N 121.638 2.017 . . . . 0.0 108.842 156.766 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt . . . . . 0 CA--C 1.512 -0.482 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.92 115.96 24.85 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.302 0.501 . . . . 0.0 111.591 -165.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.35 128.38 35.56 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 116.172 -1.87 . . . . 0.0 106.606 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.37 -7.4 34.59 Favored Glycine 0 C--N 1.36 1.891 0 CA-C-O 114.457 -3.413 . . . . 0.0 117.956 -160.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.11 160.78 37.81 Favored Pre-proline 0 C--N 1.361 1.095 0 CA-C-N 123.979 3.89 . . . . 0.0 112.321 -169.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -38.22 118.03 0.29 Allowed 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 121.638 1.559 . . . . 0.0 115.197 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -120.01 125.93 49.57 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 126.973 2.109 . . . . 0.0 108.398 -168.437 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 t -134.49 105.28 6.47 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -61.92 40.59 0.01 OUTLIER 'General case' 0 C--N 1.361 1.073 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -104.07 -45.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.74 130.95 54.26 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 115.275 -2.297 . . . . 0.0 108.357 168.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 13' ' ' TYR 0.256 0.0 OUTLIER -120.6 124.42 45.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 122.447 2.385 . . . . 0.0 107.277 166.627 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -111.31 72.17 0.77 Allowed 'General case' 0 C--N 1.356 0.887 1 CA-C-O 111.676 -4.012 . . . . 0.0 112.108 147.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.39 158.99 15.81 Favored 'General case' 0 N--CA 1.48 1.072 1 CA-C-N 129.541 5.609 . . . . 0.0 107.999 -169.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -65.54 0.66 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -172.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.6 p -121.46 113.32 19.68 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 115.314 -2.279 . . . . 0.0 110.268 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.29 -150.17 20.15 Favored Glycine 0 C--N 1.362 1.974 0 N-CA-C 120.304 2.882 . . . . 0.0 120.304 158.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -121.4 125.89 48.05 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 113.281 -3.247 . . . . 0.0 111.382 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.0 t -97.69 118.79 35.01 Favored 'General case' 0 C--N 1.357 0.906 1 CA-C-N 127.116 4.507 . . . . 0.0 101.119 -161.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' N ' ' SG ' ' A' ' 8' ' ' CYS 0.283 21.5 mmt180 -120.86 129.17 53.42 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 108.467 -3.969 . . . . 0.0 107.506 -152.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -58.14 73.22 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 124.286 3.221 . . . . 0.0 114.231 -149.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.54 -22.91 18.98 Favored Glycine 0 C--N 1.367 2.271 0 CA-C-O 116.303 -2.387 . . . . 0.0 117.09 -161.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' ARG . 37.7 ttmt -118.77 141.46 48.61 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 122.065 2.933 . . . . 0.0 110.125 173.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.364 1.204 0 CA-C-N 122.562 2.437 . . . . 0.0 109.522 170.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.429 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.531 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.93 130.22 55.44 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.917 1.69 . . . . 0.0 111.302 -158.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 132.41 15.32 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-O 117.541 -1.218 . . . . 0.0 111.676 -169.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.81 -1.08 38.88 Favored Glycine 0 C--N 1.361 1.94 0 CA-C-O 117.271 -1.849 . . . . 0.0 114.35 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 162.33 20.57 Favored Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 120.615 2.207 . . . . 0.0 108.238 -169.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.12 134.06 37.96 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 121.269 1.489 . . . . 0.0 113.098 -163.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t -126.81 144.97 50.81 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.403 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 30.2 t -128.1 111.9 13.99 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' N ' ' SG ' ' A' ' 20' ' ' CYS 0.252 20.4 ttp-105 -61.59 15.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.957 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.521 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.9 mt -92.19 -44.13 14.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 121.418 1.917 . . . . 0.0 106.221 164.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.72 105.32 12.9 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.579 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 p90 -108.62 125.22 51.62 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.259 -0.877 . . . . 0.0 109.361 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.85 64.71 1.59 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 114.439 -2.695 . . . . 0.0 110.861 165.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -93.02 146.25 23.77 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 124.023 3.101 . . . . 0.0 111.273 -172.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.62 -57.71 5.32 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -127.97 106.33 9.01 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.289 -1.815 . . . . 0.0 109.23 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.2 -155.86 24.17 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 120.764 1.62 . . . . 0.0 115.678 167.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 t -121.73 149.22 43.58 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.889 0.876 . . . . 0.0 110.51 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 10' ' ' ARG . 37.2 t -83.52 120.08 25.5 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.2 mtt180 -122.45 153.97 38.4 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.388 -1.292 . . . . 0.0 110.286 -170.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.7 t -50.2 77.23 0.0 OUTLIER 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.655 1.222 . . . . 0.0 111.551 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 110.33 -23.04 21.54 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-O 116.163 -2.465 . . . . 0.0 112.941 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -120.79 147.55 45.19 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.493 2.646 . . . . 0.0 108.408 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.429 ' SG ' ' HE2' ' A' ' 2' ' ' LYS . 1.2 t . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 15.7 mmmt . . . . . 0 C--O 1.215 -0.723 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.739 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.27 33.04 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.69 134.22 12.9 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.703 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.98 -7.11 35.34 Favored Glycine 0 C--N 1.357 1.723 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.522 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 164.84 14.64 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-N 120.989 2.394 . . . . 0.0 110.814 -167.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.32 101.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.372 1.815 0 N-CA-C 118.664 2.525 . . . . 0.0 118.664 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.305 14.7 p -134.89 151.81 51.21 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.951 -1.024 . . . . 0.0 113.494 169.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 p -119.19 125.05 48.27 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -64.56 13.79 0.03 OUTLIER 'General case' 0 C--N 1.359 0.994 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.9 pt -99.27 -40.36 8.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 CA-C-N 121.795 2.089 . . . . 0.0 108.376 165.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.14 86.09 2.51 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.778 1.626 . . . . 0.0 109.78 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -128.74 127.99 43.14 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.752 1.615 . . . . 0.0 114.382 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -116.14 88.99 3.0 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-O 116.84 -1.553 . . . . 0.0 107.171 166.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.1 m -102.04 170.36 8.17 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.709 2.05 . . . . 0.0 112.743 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 71.2 m -62.37 -88.17 0.01 OUTLIER 'General case' 0 C--N 1.362 1.136 0 CA-C-O 116.887 -1.53 . . . . 0.0 107.798 170.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -128.84 144.04 51.06 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 121.227 1.83 . . . . 0.0 109.082 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.55 -159.97 25.46 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 119.917 1.235 . . . . 0.0 112.539 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -128.51 136.88 51.39 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.705 -2.093 . . . . 0.0 110.264 -173.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 5.8 m -88.97 128.12 35.68 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-N 121.298 1.863 . . . . 0.0 109.849 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 8.2 ttt-85 -128.4 153.02 47.52 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 115.473 -2.204 . . . . 0.0 106.821 -167.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -46.01 78.42 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.414 1.461 . . . . 0.0 112.412 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.46 -24.87 11.73 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.936 -2.036 . . . . 0.0 114.29 178.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -117.24 158.74 23.8 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.048 2.424 . . . . 0.0 110.596 -173.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.3 t . . . . . 0 C--N 1.359 1.009 0 CA-C-N 119.452 1.024 . . . . 0.0 111.3 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.59 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.15 126.41 48.26 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 121.087 1.767 . . . . 0.0 108.615 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.45 136.34 25.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.534 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.9 28.78 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 116.456 -2.302 . . . . 0.0 112.882 -171.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.41 162.79 19.42 Favored Pre-proline 0 C--N 1.359 1.004 0 CA-C-N 120.748 2.274 . . . . 0.0 111.21 -173.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -52.59 127.21 23.46 Favored 'Trans proline' 0 C--N 1.368 1.577 0 N-CA-C 117.605 2.117 . . . . 0.0 117.605 -169.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.8 152.0 51.89 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.618 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -127.72 112.11 14.44 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -53.3 -16.6 1.37 Allowed 'General case' 0 C--N 1.36 1.023 0 CA-C-N 120.262 1.392 . . . . 0.0 113.283 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 pt -84.38 -36.62 11.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 120.777 1.626 . . . . 0.0 106.762 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.22 76.3 1.59 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.875 -1.536 . . . . 0.0 110.962 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -127.97 128.84 45.79 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 116.223 -1.846 . . . . 0.0 113.06 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -124.51 58.12 1.23 Allowed 'General case' 0 C--N 1.361 1.106 0 CA-C-N 121.819 2.1 . . . . 0.0 111.901 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.02 163.05 14.13 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 123.099 2.681 . . . . 0.0 112.681 -166.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -68.95 0.19 Allowed 'General case' 0 C--N 1.364 1.214 0 CA-C-N 119.891 1.223 . . . . 0.0 107.716 -166.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -128.64 136.82 51.18 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 116.48 -1.724 . . . . 0.0 109.529 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.63 23.55 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-N 120.641 1.564 . . . . 0.0 114.076 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -128.88 140.91 51.47 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.232 -1.842 . . . . 0.0 110.026 -173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.66 117.1 25.2 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 121.598 1.999 . . . . 0.0 107.517 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.1 ptm180 -112.79 158.59 19.93 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -38.2 76.62 0.0 OUTLIER 'General case' 0 C--N 1.349 0.585 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 108.41 -19.3 31.82 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 115.935 -2.592 . . . . 0.0 114.768 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -121.38 142.5 49.94 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 121.848 2.824 . . . . 0.0 111.564 -171.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.365 1.258 0 CA-C-N 121.435 1.925 . . . . 0.0 111.006 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.7 112.94 25.88 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.42 130.91 20.49 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.64 -5.1 21.01 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 114.419 -3.434 . . . . 0.0 115.156 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 164.64 14.48 Favored Pre-proline 0 C--N 1.362 1.15 0 CA-C-N 123.923 3.861 . . . . 0.0 110.366 -175.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -57.19 105.23 0.17 Allowed 'Trans proline' 0 C--N 1.368 1.559 0 CA-C-N 121.675 1.634 . . . . 0.0 113.884 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -128.27 155.72 44.14 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.961 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 m -118.76 126.46 51.92 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -64.95 30.97 0.02 OUTLIER 'General case' 0 C--N 1.357 0.894 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mt -94.97 -44.0 13.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 159.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.56 112.71 20.93 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -109.11 122.26 46.9 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 177.358 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -131.26 51.35 2.15 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.633 1.56 . . . . 0.0 110.579 159.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 m -78.44 144.55 35.72 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 -169.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.7 t -63.17 -48.6 77.7 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 118.563 -1.255 . . . . 0.0 107.952 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.0 p -129.57 100.75 5.65 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.615 -1.66 . . . . 0.0 110.277 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.91 -158.12 27.29 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-N 120.626 1.557 . . . . 0.0 115.447 169.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -126.75 144.83 50.83 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.762 -1.59 . . . . 0.0 110.672 -168.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -82.36 125.67 31.29 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.873 1.669 . . . . 0.0 106.523 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' GLY . 29.0 tpt180 -127.43 156.04 42.72 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 115.181 -2.342 . . . . 0.0 105.631 -168.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -40.27 77.41 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 121.387 1.903 . . . . 0.0 114.456 -170.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.01 -18.36 36.81 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-O 116.832 -2.093 . . . . 0.0 113.558 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -121.4 146.31 47.02 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.742 2.271 . . . . 0.0 111.179 -167.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.359 1.005 0 CA-C-N 120.531 1.514 . . . . 0.0 110.257 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.576 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.31 44.44 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 121.734 2.061 . . . . 0.0 111.08 -154.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.87 135.93 47.49 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.1 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.02 -8.84 31.51 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 115.842 -2.643 . . . . 0.0 113.368 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 161.48 24.32 Favored Pre-proline 0 C--N 1.36 1.053 0 CA-C-N 121.688 2.744 . . . . 0.0 111.736 -172.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.83 112.93 1.78 Allowed 'Trans proline' 0 C--N 1.368 1.566 0 N-CA-C 115.963 1.486 . . . . 0.0 115.963 -171.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 p -135.45 153.07 51.89 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.179 -1.391 . . . . 0.0 113.0 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.4 m -121.37 117.19 26.31 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.481 1.0 OUTLIER -60.75 16.95 0.01 OUTLIER 'General case' 0 C--N 1.362 1.138 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 -176.204 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.0 mt -90.91 -45.41 14.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 164.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.2 67.21 0.93 Allowed 'General case' 0 C--N 1.358 0.96 0 CA-C-N 119.475 1.034 . . . . 0.0 110.351 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -131.1 139.86 49.92 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.042 -1.456 . . . . 0.0 114.588 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.3 129.09 55.67 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 114.92 -2.467 . . . . 0.0 106.396 150.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.9 m -98.46 154.22 18.04 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 123.334 2.788 . . . . 0.0 105.332 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -64.41 -53.87 41.62 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 m -128.84 85.29 2.31 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.122 -1.418 . . . . 0.0 110.732 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.96 -153.74 22.9 Favored Glycine 0 C--N 1.359 1.846 0 N-CA-C 116.776 1.47 . . . . 0.0 116.776 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 t -124.61 146.34 49.12 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 116.573 -1.679 . . . . 0.0 110.36 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.87 130.44 35.07 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 121.257 1.844 . . . . 0.0 109.17 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -111.65 150.33 30.28 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -174.417 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -39.24 80.12 0.0 OUTLIER 'General case' 0 C--N 1.349 0.574 0 CA-C-N 122.949 2.613 . . . . 0.0 115.029 -164.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.16 -15.7 22.94 Favored Glycine 0 C--N 1.36 1.881 0 CA-C-O 117.15 -1.917 . . . . 0.0 115.395 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.262 3.9 ttmp? -120.31 151.73 38.81 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 115.474 -2.203 . . . . 0.0 110.448 -168.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.362 1.126 0 CA-C-N 121.82 2.1 . . . . 0.0 111.13 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt . . . . . 0 CA--C 1.509 -0.634 0 CA-C-O 118.666 -0.683 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.31 122.49 47.98 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -173.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.35 134.19 34.24 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 172.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.45 -9.38 32.89 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 116.206 -2.441 . . . . 0.0 113.896 -168.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -103.31 159.52 29.04 Favored Pre-proline 0 C--N 1.358 0.964 0 CA-C-N 122.156 2.978 . . . . 0.0 111.708 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.31 112.24 0.99 Allowed 'Trans proline' 0 C--N 1.367 1.513 0 CA-C-N 121.595 1.605 . . . . 0.0 115.105 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 18.8 p -128.76 153.27 47.55 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-O 117.808 -1.092 . . . . 0.0 112.221 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.5 p -128.09 127.55 43.27 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -60.16 3.37 0.07 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.9 pt -91.38 -38.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 121.252 1.842 . . . . 0.0 107.243 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.29 68.82 1.35 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.732 1.606 . . . . 0.0 111.604 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.5 p90 -129.1 137.42 51.23 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-N 120.42 1.464 . . . . 0.0 114.634 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -118.89 132.02 56.08 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 115.587 -2.149 . . . . 0.0 107.317 150.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -101.68 168.51 9.42 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 122.637 2.471 . . . . 0.0 105.789 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -63.3 -56.44 16.4 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 121.289 1.858 . . . . 0.0 106.073 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -131.13 122.44 26.66 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 115.804 -2.046 . . . . 0.0 109.315 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.46 -158.7 25.05 Favored Glycine 0 C--N 1.358 1.783 0 CA-C-N 121.63 2.014 . . . . 0.0 116.01 166.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -127.02 146.02 50.5 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-O 117.275 -1.345 . . . . 0.0 110.14 -170.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.98 127.0 33.14 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.474 1.488 . . . . 0.0 108.379 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.5 mmm180 -115.05 154.39 28.94 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.433 -174.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.09 77.44 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 O-C-N 124.532 1.145 . . . . 0.0 113.103 -170.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 109.61 -21.98 24.93 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-O 116.587 -2.23 . . . . 0.0 113.469 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 55.2 mttp -120.55 144.41 48.08 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 121.236 2.518 . . . . 0.0 112.018 -172.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.504 -0.821 0 CA-C-N 119.421 1.01 . . . . 0.0 109.365 -175.447 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.2 ttpt . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 117.588 -1.196 . . . . 0.0 108.791 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.86 127.48 54.08 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.2 1.818 . . . . 0.0 110.992 -166.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.4 134.59 5.05 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.4 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.74 -8.94 32.17 Favored Glycine 0 C--N 1.357 1.714 0 CA-C-O 116.184 -2.453 . . . . 0.0 112.457 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.03 165.06 13.38 Favored Pre-proline 0 C--N 1.36 1.063 0 CA-C-N 121.133 2.467 . . . . 0.0 110.543 -173.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -49.37 122.15 8.17 Favored 'Trans proline' 0 C--N 1.366 1.482 0 CA-C-N 121.517 1.578 . . . . 0.0 114.438 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -129.23 141.1 51.23 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.009 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 t -124.46 124.31 42.02 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 124.02 0.825 . . . . 0.0 108.781 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -61.97 22.82 0.01 OUTLIER 'General case' 0 C--N 1.357 0.918 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -101.64 -46.76 11.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 121.417 1.917 . . . . 0.0 108.103 161.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.52 115.44 24.03 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.985 -1.483 . . . . 0.0 108.013 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -110.74 118.26 35.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.734 1.152 . . . . 0.0 107.908 173.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.71 49.7 1.51 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 167.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t -96.24 149.03 22.11 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.595 1.089 . . . . 0.0 110.119 -167.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 95.4 m -65.41 -58.58 5.5 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.029 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -122.61 78.68 1.55 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.642 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.55 -156.88 24.92 Favored Glycine 0 C--N 1.357 1.726 0 N-CA-C 115.09 0.796 . . . . 0.0 115.09 166.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -124.82 152.11 44.36 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.514 -1.231 . . . . 0.0 108.522 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.7 m -73.79 132.88 43.06 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.752 1.614 . . . . 0.0 108.901 -170.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -115.98 147.63 40.98 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 104.235 -2.505 . . . . 0.0 104.235 -173.6 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.9 t -45.4 77.65 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.966 1.712 . . . . 0.0 114.691 -164.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.12 -20.41 33.25 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 118.175 -1.347 . . . . 0.0 113.302 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -125.37 143.42 50.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.223 -1.846 . . . . 0.0 109.795 -171.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.36 1.023 0 CA-C-N 121.508 1.958 . . . . 0.0 107.337 169.346 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt . . . . . 0 C--O 1.217 -0.63 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.22 127.54 54.84 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.35 133.57 52.96 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 169.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.99 -5.9 29.01 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-O 116.547 -2.252 . . . . 0.0 113.406 -174.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -106.12 160.49 25.99 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-N 121.317 2.558 . . . . 0.0 111.645 -169.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -56.76 102.61 0.11 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 CA-C-N 121.354 1.519 . . . . 0.0 114.741 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -126.98 152.33 47.35 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.65 -1.167 . . . . 0.0 110.574 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -118.43 131.57 56.27 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.7 28.99 0.02 OUTLIER 'General case' 0 C--N 1.358 0.976 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 -177.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.61 -44.97 9.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 119.55 1.068 . . . . 0.0 108.61 162.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.09 97.79 5.85 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.824 1.193 . . . . 0.0 108.291 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.9 p90 -118.24 121.25 39.99 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-N 119.13 0.877 . . . . 0.0 110.857 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.09 83.24 2.11 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.902 1.683 . . . . 0.0 106.789 156.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.45 160.32 14.39 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 121.49 1.95 . . . . 0.0 109.36 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t -67.74 -50.03 59.43 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.502 -177.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -131.48 65.73 1.56 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.166 -1.397 . . . . 0.0 114.062 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.48 -155.88 26.71 Favored Glycine 0 C--N 1.36 1.913 0 N-CA-C 118.841 2.297 . . . . 0.0 118.841 167.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t -124.98 148.7 48.3 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-O 118.263 -0.875 . . . . 0.0 113.202 -157.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.8 m -87.4 121.44 29.85 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.115 0.87 . . . . 0.0 111.616 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 tmt_? -119.05 144.89 46.31 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -33.06 79.59 0.0 OUTLIER 'General case' 0 C--N 1.348 0.523 0 CA-C-N 122.154 2.252 . . . . 0.0 115.894 -162.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 111.09 -17.72 26.68 Favored Glycine 0 C--N 1.36 1.895 0 CA-C-O 117.637 -1.646 . . . . 0.0 115.048 173.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.268 85.4 tttt -123.26 146.49 47.82 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 114.916 -2.468 . . . . 0.0 109.199 -169.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.364 1.205 0 CA-C-N 122.388 2.358 . . . . 0.0 112.24 176.639 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.217 -0.62 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.29 126.34 44.97 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.739 2.063 . . . . 0.0 110.141 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.6 137.56 15.28 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.677 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.9 -9.61 29.66 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 116.303 -2.387 . . . . 0.0 112.072 -171.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 162.36 22.72 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-N 120.941 2.371 . . . . 0.0 110.968 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.79 126.52 17.57 Favored 'Trans proline' 0 C--N 1.365 1.415 0 N-CA-C 118.442 2.439 . . . . 0.0 118.442 -165.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -139.27 156.75 46.85 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.422 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -115.35 121.23 42.19 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.07 -2.5 0.17 Allowed 'General case' 0 C--N 1.36 1.062 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.41 -44.96 15.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 122.103 2.228 . . . . 0.0 105.744 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.18 77.92 1.6 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.175 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p90 -124.14 128.68 49.62 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 120.63 1.559 . . . . 0.0 114.034 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.94 102.65 8.93 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 162.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.95 -176.53 3.1 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 121.352 1.887 . . . . 0.0 107.477 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -75.89 0.06 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 169.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -135.63 156.01 49.54 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.379 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.49 -158.65 22.57 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-N 119.663 1.12 . . . . 0.0 113.363 165.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -126.07 139.42 53.41 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.205 -1.379 . . . . 0.0 109.1 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' SG ' ' CG ' ' A' ' 13' ' ' TYR . 7.1 m -87.54 126.23 34.8 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.277 1.399 . . . . 0.0 109.487 -177.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.6 mtm180 -118.36 153.27 34.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.372 -1.775 . . . . 0.0 107.308 -175.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.3 78.86 0.0 OUTLIER 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.722 1.264 . . . . 0.0 112.432 -172.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 115.7 -24.89 9.96 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 115.032 -3.093 . . . . 0.0 114.328 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -116.4 160.55 20.39 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 123.073 3.437 . . . . 0.0 111.152 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.361 1.094 0 CA-C-N 119.57 1.077 . . . . 0.0 111.312 167.343 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 165.42 12.56 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 115.331 -2.271 . . . . 0.0 105.438 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.74 50.38 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 123.24 2.745 . . . . 0.0 108.108 -175.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.31 137.9 56.82 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.703 -173.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.59 -7.19 33.94 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-O 116.779 -2.123 . . . . 0.0 113.293 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 166.23 11.57 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-N 120.163 1.982 . . . . 0.0 110.871 -175.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -56.08 110.15 0.53 Allowed 'Trans proline' 0 C--N 1.367 1.539 0 N-CA-C 116.893 1.843 . . . . 0.0 116.893 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.294 17.8 p -127.03 152.43 47.28 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.8 168.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -117.39 131.24 56.81 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -62.64 6.57 0.09 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 pt -92.67 -35.75 7.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 121.421 1.919 . . . . 0.0 108.922 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.71 106.55 13.18 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -110.16 113.01 25.35 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.61 72.79 1.46 Allowed 'General case' 0 C--N 1.357 0.914 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 160.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.4 m -96.27 164.73 12.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.088 1.767 . . . . 0.0 110.706 -172.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -76.04 0.07 Allowed 'General case' 0 C--N 1.36 1.027 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 169.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.6 p -132.99 137.79 46.64 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 116.698 -1.62 . . . . 0.0 110.129 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.64 -159.92 24.05 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-N 120.519 1.509 . . . . 0.0 113.477 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -125.47 139.25 53.79 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-O 117.078 -1.439 . . . . 0.0 109.169 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 m -88.87 121.67 31.47 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.266 1.394 . . . . 0.0 107.596 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -119.37 146.99 44.86 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -41.22 80.94 0.0 OUTLIER 'General case' 0 C--N 1.349 0.547 0 CA-C-N 120.916 1.689 . . . . 0.0 113.934 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 117.05 -19.22 12.03 Favored Glycine 0 C--N 1.357 1.746 0 CA-C-O 116.947 -2.03 . . . . 0.0 115.895 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -116.47 138.9 51.01 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 121.612 2.706 . . . . 0.0 109.271 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.363 1.165 0 CA-C-N 121.638 2.017 . . . . 0.0 108.842 156.766 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 CA--C 1.513 -0.451 0 CA-C-O 116.653 -1.641 . . . . 0.0 106.652 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -104.38 176.25 5.22 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 121.26 1.845 . . . . 0.0 108.323 -177.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.92 115.96 24.85 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.302 0.501 . . . . 0.0 111.591 -165.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.35 128.38 35.56 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 116.172 -1.87 . . . . 0.0 106.606 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.37 -7.4 34.59 Favored Glycine 0 C--N 1.36 1.891 0 CA-C-O 114.457 -3.413 . . . . 0.0 117.956 -160.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.11 160.78 37.81 Favored Pre-proline 0 C--N 1.361 1.095 0 CA-C-N 123.979 3.89 . . . . 0.0 112.321 -169.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -38.22 118.03 0.29 Allowed 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 121.638 1.559 . . . . 0.0 115.197 -179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -120.01 125.93 49.57 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 126.973 2.109 . . . . 0.0 108.398 -168.437 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 t -134.49 105.28 6.47 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -61.92 40.59 0.01 OUTLIER 'General case' 0 C--N 1.361 1.073 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -104.07 -45.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.74 130.95 54.26 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 115.275 -2.297 . . . . 0.0 108.357 168.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 13' ' ' TYR 0.256 0.0 OUTLIER -120.6 124.42 45.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 122.447 2.385 . . . . 0.0 107.277 166.627 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -111.31 72.17 0.77 Allowed 'General case' 0 C--N 1.356 0.887 1 CA-C-O 111.676 -4.012 . . . . 0.0 112.108 147.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.39 158.99 15.81 Favored 'General case' 0 N--CA 1.48 1.072 1 CA-C-N 129.541 5.609 . . . . 0.0 107.999 -169.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -65.54 0.66 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -172.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.6 p -121.46 113.32 19.68 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 115.314 -2.279 . . . . 0.0 110.268 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.29 -150.17 20.15 Favored Glycine 0 C--N 1.362 1.974 0 N-CA-C 120.304 2.882 . . . . 0.0 120.304 158.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -121.4 125.89 48.05 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 113.281 -3.247 . . . . 0.0 111.382 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.0 t -97.69 118.79 35.01 Favored 'General case' 0 C--N 1.357 0.906 1 CA-C-N 127.116 4.507 . . . . 0.0 101.119 -161.361 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' N ' ' SG ' ' A' ' 8' ' ' CYS 0.283 21.5 mmt180 -120.86 129.17 53.42 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 108.467 -3.969 . . . . 0.0 107.506 -152.721 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -58.14 73.22 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 124.286 3.221 . . . . 0.0 114.231 -149.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.54 -22.91 18.98 Favored Glycine 0 C--N 1.367 2.271 0 CA-C-O 116.303 -2.387 . . . . 0.0 117.09 -161.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' ARG . 37.7 ttmt -118.77 141.46 48.61 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 122.065 2.933 . . . . 0.0 110.125 173.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.364 1.204 0 CA-C-N 122.562 2.437 . . . . 0.0 109.522 170.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.429 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -94.19 139.45 31.0 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 -177.493 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.93 130.22 55.44 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.917 1.69 . . . . 0.0 111.302 -158.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 132.41 15.32 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-O 117.541 -1.218 . . . . 0.0 111.676 -169.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.81 -1.08 38.88 Favored Glycine 0 C--N 1.361 1.94 0 CA-C-O 117.271 -1.849 . . . . 0.0 114.35 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 162.33 20.57 Favored Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 120.615 2.207 . . . . 0.0 108.238 -169.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.12 134.06 37.96 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 121.269 1.489 . . . . 0.0 113.098 -163.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t -126.81 144.97 50.81 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.403 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 30.2 t -128.1 111.9 13.99 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' N ' ' SG ' ' A' ' 20' ' ' CYS 0.252 20.4 ttp-105 -61.59 15.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.957 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.521 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.9 mt -92.19 -44.13 14.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 121.418 1.917 . . . . 0.0 106.221 164.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.72 105.32 12.9 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 p90 -108.62 125.22 51.62 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.259 -0.877 . . . . 0.0 109.361 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.85 64.71 1.59 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 114.439 -2.695 . . . . 0.0 110.861 165.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -93.02 146.25 23.77 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 124.023 3.101 . . . . 0.0 111.273 -172.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 4.9 t -68.62 -57.71 5.32 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -127.97 106.33 9.01 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.289 -1.815 . . . . 0.0 109.23 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.2 -155.86 24.17 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 120.764 1.62 . . . . 0.0 115.678 167.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 t -121.73 149.22 43.58 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.889 0.876 . . . . 0.0 110.51 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 10' ' ' ARG . 37.2 t -83.52 120.08 25.5 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.2 mtt180 -122.45 153.97 38.4 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.388 -1.292 . . . . 0.0 110.286 -170.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.7 t -50.2 77.23 0.0 OUTLIER 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.655 1.222 . . . . 0.0 111.551 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 110.33 -23.04 21.54 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-O 116.163 -2.465 . . . . 0.0 112.941 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -120.79 147.55 45.19 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.493 2.646 . . . . 0.0 108.408 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.429 ' SG ' ' HE2' ' A' ' 2' ' ' LYS . 1.2 t . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 15.7 mmmt -90.2 171.72 9.3 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.627 1.558 . . . . 0.0 112.739 -169.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.27 33.04 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.69 134.22 12.9 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.703 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.98 -7.11 35.34 Favored Glycine 0 C--N 1.357 1.723 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.522 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 164.84 14.64 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-N 120.989 2.394 . . . . 0.0 110.814 -167.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.32 101.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.372 1.815 0 N-CA-C 118.664 2.525 . . . . 0.0 118.664 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.305 14.7 p -134.89 151.81 51.21 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.951 -1.024 . . . . 0.0 113.494 169.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 p -119.19 125.05 48.27 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -64.56 13.79 0.03 OUTLIER 'General case' 0 C--N 1.359 0.994 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.9 pt -99.27 -40.36 8.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 CA-C-N 121.795 2.089 . . . . 0.0 108.376 165.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.14 86.09 2.51 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.778 1.626 . . . . 0.0 109.78 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -128.74 127.99 43.14 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.752 1.615 . . . . 0.0 114.382 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -116.14 88.99 3.0 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-O 116.84 -1.553 . . . . 0.0 107.171 166.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.1 m -102.04 170.36 8.17 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.709 2.05 . . . . 0.0 112.743 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 71.2 m -62.37 -88.17 0.01 OUTLIER 'General case' 0 C--N 1.362 1.136 0 CA-C-O 116.887 -1.53 . . . . 0.0 107.798 170.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -128.84 144.04 51.06 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 121.227 1.83 . . . . 0.0 109.082 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.55 -159.97 25.46 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 119.917 1.235 . . . . 0.0 112.539 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -128.51 136.88 51.39 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.705 -2.093 . . . . 0.0 110.264 -173.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 5.8 m -88.97 128.12 35.68 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-N 121.298 1.863 . . . . 0.0 109.849 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 8.2 ttt-85 -128.4 153.02 47.52 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 115.473 -2.204 . . . . 0.0 106.821 -167.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -46.01 78.42 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.414 1.461 . . . . 0.0 112.412 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.46 -24.87 11.73 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.936 -2.036 . . . . 0.0 114.29 178.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -117.24 158.74 23.8 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.048 2.424 . . . . 0.0 110.596 -173.297 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.3 t . . . . . 0 C--N 1.359 1.009 0 CA-C-N 119.452 1.024 . . . . 0.0 111.3 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 117.676 -1.154 . . . . 0.0 108.335 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.79 158.75 15.73 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.15 126.41 48.26 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 121.087 1.767 . . . . 0.0 108.615 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.45 136.34 25.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.534 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.9 28.78 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 116.456 -2.302 . . . . 0.0 112.882 -171.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.41 162.79 19.42 Favored Pre-proline 0 C--N 1.359 1.004 0 CA-C-N 120.748 2.274 . . . . 0.0 111.21 -173.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -52.59 127.21 23.46 Favored 'Trans proline' 0 C--N 1.368 1.577 0 N-CA-C 117.605 2.117 . . . . 0.0 117.605 -169.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.8 152.0 51.89 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.618 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -127.72 112.11 14.44 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -53.3 -16.6 1.37 Allowed 'General case' 0 C--N 1.36 1.023 0 CA-C-N 120.262 1.392 . . . . 0.0 113.283 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 pt -84.38 -36.62 11.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 120.777 1.626 . . . . 0.0 106.762 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.22 76.3 1.59 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.875 -1.536 . . . . 0.0 110.962 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -127.97 128.84 45.79 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 116.223 -1.846 . . . . 0.0 113.06 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -124.51 58.12 1.23 Allowed 'General case' 0 C--N 1.361 1.106 0 CA-C-N 121.819 2.1 . . . . 0.0 111.901 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.02 163.05 14.13 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 123.099 2.681 . . . . 0.0 112.681 -166.297 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -68.95 0.19 Allowed 'General case' 0 C--N 1.364 1.214 0 CA-C-N 119.891 1.223 . . . . 0.0 107.716 -166.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -128.64 136.82 51.18 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 116.48 -1.724 . . . . 0.0 109.529 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.63 23.55 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-N 120.641 1.564 . . . . 0.0 114.076 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -128.88 140.91 51.47 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.232 -1.842 . . . . 0.0 110.026 -173.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.66 117.1 25.2 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 121.598 1.999 . . . . 0.0 107.517 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.1 ptm180 -112.79 158.59 19.93 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -38.2 76.62 0.0 OUTLIER 'General case' 0 C--N 1.349 0.585 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 108.41 -19.3 31.82 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 115.935 -2.592 . . . . 0.0 114.768 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -121.38 142.5 49.94 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 121.848 2.824 . . . . 0.0 111.564 -171.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.365 1.258 0 CA-C-N 121.435 1.925 . . . . 0.0 111.006 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -90.75 161.31 15.37 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.125 1.329 . . . . 0.0 111.555 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.7 112.94 25.88 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.42 130.91 20.49 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.64 -5.1 21.01 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 114.419 -3.434 . . . . 0.0 115.156 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 164.64 14.48 Favored Pre-proline 0 C--N 1.362 1.15 0 CA-C-N 123.923 3.861 . . . . 0.0 110.366 -175.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -57.19 105.23 0.17 Allowed 'Trans proline' 0 C--N 1.368 1.559 0 CA-C-N 121.675 1.634 . . . . 0.0 113.884 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -128.27 155.72 44.14 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.961 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 m -118.76 126.46 51.92 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -64.95 30.97 0.02 OUTLIER 'General case' 0 C--N 1.357 0.894 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mt -94.97 -44.0 13.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 159.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.56 112.71 20.93 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -109.11 122.26 46.9 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 177.358 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -131.26 51.35 2.15 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.633 1.56 . . . . 0.0 110.579 159.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 m -78.44 144.55 35.72 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 -169.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.7 t -63.17 -48.6 77.7 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 118.563 -1.255 . . . . 0.0 107.952 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.0 p -129.57 100.75 5.65 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.615 -1.66 . . . . 0.0 110.277 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.91 -158.12 27.29 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-N 120.626 1.557 . . . . 0.0 115.447 169.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -126.75 144.83 50.83 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.762 -1.59 . . . . 0.0 110.672 -168.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -82.36 125.67 31.29 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.873 1.669 . . . . 0.0 106.523 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' GLY . 29.0 tpt180 -127.43 156.04 42.72 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 115.181 -2.342 . . . . 0.0 105.631 -168.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -40.27 77.41 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 121.387 1.903 . . . . 0.0 114.456 -170.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.01 -18.36 36.81 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-O 116.832 -2.093 . . . . 0.0 113.558 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -121.4 146.31 47.02 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.742 2.271 . . . . 0.0 111.179 -167.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.359 1.005 0 CA-C-N 120.531 1.514 . . . . 0.0 110.257 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.221 -0.419 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.42 115.09 27.22 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -171.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.31 44.44 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 121.734 2.061 . . . . 0.0 111.08 -154.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.87 135.93 47.49 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.1 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.02 -8.84 31.51 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 115.842 -2.643 . . . . 0.0 113.368 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 161.48 24.32 Favored Pre-proline 0 C--N 1.36 1.053 0 CA-C-N 121.688 2.744 . . . . 0.0 111.736 -172.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.83 112.93 1.78 Allowed 'Trans proline' 0 C--N 1.368 1.566 0 N-CA-C 115.963 1.486 . . . . 0.0 115.963 -171.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.7 p -135.45 153.07 51.89 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.179 -1.391 . . . . 0.0 113.0 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.4 m -121.37 117.19 26.31 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.481 1.0 OUTLIER -60.75 16.95 0.01 OUTLIER 'General case' 0 C--N 1.362 1.138 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 -176.204 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.0 mt -90.91 -45.41 14.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 164.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.2 67.21 0.93 Allowed 'General case' 0 C--N 1.358 0.96 0 CA-C-N 119.475 1.034 . . . . 0.0 110.351 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -131.1 139.86 49.92 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.042 -1.456 . . . . 0.0 114.588 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.3 129.09 55.67 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 114.92 -2.467 . . . . 0.0 106.396 150.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.9 m -98.46 154.22 18.04 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 123.334 2.788 . . . . 0.0 105.332 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -64.41 -53.87 41.62 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 m -128.84 85.29 2.31 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.122 -1.418 . . . . 0.0 110.732 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.96 -153.74 22.9 Favored Glycine 0 C--N 1.359 1.846 0 N-CA-C 116.776 1.47 . . . . 0.0 116.776 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 t -124.61 146.34 49.12 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 116.573 -1.679 . . . . 0.0 110.36 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.87 130.44 35.07 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 121.257 1.844 . . . . 0.0 109.17 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -111.65 150.33 30.28 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -174.417 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -39.24 80.12 0.0 OUTLIER 'General case' 0 C--N 1.349 0.574 0 CA-C-N 122.949 2.613 . . . . 0.0 115.029 -164.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.16 -15.7 22.94 Favored Glycine 0 C--N 1.36 1.881 0 CA-C-O 117.15 -1.917 . . . . 0.0 115.395 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.262 3.9 ttmp? -120.31 151.73 38.81 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 115.474 -2.203 . . . . 0.0 110.448 -168.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.362 1.126 0 CA-C-N 121.82 2.1 . . . . 0.0 111.13 175.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.828 -1.082 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -87.43 152.6 22.1 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 120.236 1.38 . . . . 0.0 109.832 -175.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.31 122.49 47.98 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -173.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.35 134.19 34.24 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 172.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.45 -9.38 32.89 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 116.206 -2.441 . . . . 0.0 113.896 -168.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -103.31 159.52 29.04 Favored Pre-proline 0 C--N 1.358 0.964 0 CA-C-N 122.156 2.978 . . . . 0.0 111.708 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.31 112.24 0.99 Allowed 'Trans proline' 0 C--N 1.367 1.513 0 CA-C-N 121.595 1.605 . . . . 0.0 115.105 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 18.8 p -128.76 153.27 47.55 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-O 117.808 -1.092 . . . . 0.0 112.221 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.5 p -128.09 127.55 43.27 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -60.16 3.37 0.07 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.9 pt -91.38 -38.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 121.252 1.842 . . . . 0.0 107.243 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.29 68.82 1.35 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.732 1.606 . . . . 0.0 111.604 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.5 p90 -129.1 137.42 51.23 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-N 120.42 1.464 . . . . 0.0 114.634 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -118.89 132.02 56.08 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 115.587 -2.149 . . . . 0.0 107.317 150.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -101.68 168.51 9.42 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 122.637 2.471 . . . . 0.0 105.789 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.1 t -63.3 -56.44 16.4 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 121.289 1.858 . . . . 0.0 106.073 174.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -131.13 122.44 26.66 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 115.804 -2.046 . . . . 0.0 109.315 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.46 -158.7 25.05 Favored Glycine 0 C--N 1.358 1.783 0 CA-C-N 121.63 2.014 . . . . 0.0 116.01 166.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -127.02 146.02 50.5 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-O 117.275 -1.345 . . . . 0.0 110.14 -170.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.98 127.0 33.14 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.474 1.488 . . . . 0.0 108.379 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.5 mmm180 -115.05 154.39 28.94 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.433 -174.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.09 77.44 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 O-C-N 124.532 1.145 . . . . 0.0 113.103 -170.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 109.61 -21.98 24.93 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-O 116.587 -2.23 . . . . 0.0 113.469 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 55.2 mttp -120.55 144.41 48.08 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 121.236 2.518 . . . . 0.0 112.018 -172.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.504 -0.821 0 CA-C-N 119.421 1.01 . . . . 0.0 109.365 -175.447 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.2 ttpt -101.12 162.8 12.63 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.588 -1.196 . . . . 0.0 108.791 -175.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.86 127.48 54.08 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.2 1.818 . . . . 0.0 110.992 -166.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.4 134.59 5.05 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.4 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.74 -8.94 32.17 Favored Glycine 0 C--N 1.357 1.714 0 CA-C-O 116.184 -2.453 . . . . 0.0 112.457 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.03 165.06 13.38 Favored Pre-proline 0 C--N 1.36 1.063 0 CA-C-N 121.133 2.467 . . . . 0.0 110.543 -173.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -49.37 122.15 8.17 Favored 'Trans proline' 0 C--N 1.366 1.482 0 CA-C-N 121.517 1.578 . . . . 0.0 114.438 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -129.23 141.1 51.23 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.009 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 t -124.46 124.31 42.02 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 124.02 0.825 . . . . 0.0 108.781 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -61.97 22.82 0.01 OUTLIER 'General case' 0 C--N 1.357 0.918 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -101.64 -46.76 11.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 121.417 1.917 . . . . 0.0 108.103 161.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.52 115.44 24.03 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.985 -1.483 . . . . 0.0 108.013 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -110.74 118.26 35.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.734 1.152 . . . . 0.0 107.908 173.899 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.71 49.7 1.51 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 167.114 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t -96.24 149.03 22.11 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.595 1.089 . . . . 0.0 110.119 -167.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 95.4 m -65.41 -58.58 5.5 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.029 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -122.61 78.68 1.55 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.642 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.55 -156.88 24.92 Favored Glycine 0 C--N 1.357 1.726 0 N-CA-C 115.09 0.796 . . . . 0.0 115.09 166.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -124.82 152.11 44.36 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.514 -1.231 . . . . 0.0 108.522 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.7 m -73.79 132.88 43.06 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.752 1.614 . . . . 0.0 108.901 -170.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -115.98 147.63 40.98 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 104.235 -2.505 . . . . 0.0 104.235 -173.6 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.9 t -45.4 77.65 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.966 1.712 . . . . 0.0 114.691 -164.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.12 -20.41 33.25 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 118.175 -1.347 . . . . 0.0 113.302 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -125.37 143.42 50.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.223 -1.846 . . . . 0.0 109.795 -171.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.36 1.023 0 CA-C-N 121.508 1.958 . . . . 0.0 107.337 169.346 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.742 -1.123 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -88.05 169.2 12.16 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.111 1.323 . . . . 0.0 109.192 -177.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.22 127.54 54.84 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.35 133.57 52.96 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 169.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.99 -5.9 29.01 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-O 116.547 -2.252 . . . . 0.0 113.406 -174.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -106.12 160.49 25.99 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-N 121.317 2.558 . . . . 0.0 111.645 -169.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -56.76 102.61 0.11 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 CA-C-N 121.354 1.519 . . . . 0.0 114.741 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -126.98 152.33 47.35 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.65 -1.167 . . . . 0.0 110.574 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -118.43 131.57 56.27 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.7 28.99 0.02 OUTLIER 'General case' 0 C--N 1.358 0.976 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 -177.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.61 -44.97 9.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 119.55 1.068 . . . . 0.0 108.61 162.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.09 97.79 5.85 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.824 1.193 . . . . 0.0 108.291 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.9 p90 -118.24 121.25 39.99 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-N 119.13 0.877 . . . . 0.0 110.857 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.09 83.24 2.11 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.902 1.683 . . . . 0.0 106.789 156.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.45 160.32 14.39 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 121.49 1.95 . . . . 0.0 109.36 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 3.9 t -67.74 -50.03 59.43 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.502 -177.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -131.48 65.73 1.56 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.166 -1.397 . . . . 0.0 114.062 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.48 -155.88 26.71 Favored Glycine 0 C--N 1.36 1.913 0 N-CA-C 118.841 2.297 . . . . 0.0 118.841 167.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t -124.98 148.7 48.3 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-O 118.263 -0.875 . . . . 0.0 113.202 -157.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.8 m -87.4 121.44 29.85 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.115 0.87 . . . . 0.0 111.616 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 tmt_? -119.05 144.89 46.31 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -33.06 79.59 0.0 OUTLIER 'General case' 0 C--N 1.348 0.523 0 CA-C-N 122.154 2.252 . . . . 0.0 115.894 -162.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 111.09 -17.72 26.68 Favored Glycine 0 C--N 1.36 1.895 0 CA-C-O 117.637 -1.646 . . . . 0.0 115.048 173.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.268 85.4 tttt -123.26 146.49 47.82 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 114.916 -2.468 . . . . 0.0 109.199 -169.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.364 1.205 0 CA-C-N 122.388 2.358 . . . . 0.0 112.24 176.639 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.566 -0.731 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -165.48 1.24 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 168.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.29 126.34 44.97 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.739 2.063 . . . . 0.0 110.141 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.6 137.56 15.28 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.677 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.9 -9.61 29.66 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 116.303 -2.387 . . . . 0.0 112.072 -171.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 162.36 22.72 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-N 120.941 2.371 . . . . 0.0 110.968 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.79 126.52 17.57 Favored 'Trans proline' 0 C--N 1.365 1.415 0 N-CA-C 118.442 2.439 . . . . 0.0 118.442 -165.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -139.27 156.75 46.85 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.422 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -115.35 121.23 42.19 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.07 -2.5 0.17 Allowed 'General case' 0 C--N 1.36 1.062 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.41 -44.96 15.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 122.103 2.228 . . . . 0.0 105.744 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.18 77.92 1.6 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.175 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p90 -124.14 128.68 49.62 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 120.63 1.559 . . . . 0.0 114.034 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.94 102.65 8.93 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 162.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.95 -176.53 3.1 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 121.352 1.887 . . . . 0.0 107.477 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -75.89 0.06 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 169.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -135.63 156.01 49.54 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.379 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.49 -158.65 22.57 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-N 119.663 1.12 . . . . 0.0 113.363 165.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -126.07 139.42 53.41 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.205 -1.379 . . . . 0.0 109.1 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' SG ' ' CG ' ' A' ' 13' ' ' TYR . 7.1 m -87.54 126.23 34.8 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.277 1.399 . . . . 0.0 109.487 -177.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.6 mtm180 -118.36 153.27 34.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.372 -1.775 . . . . 0.0 107.308 -175.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.3 78.86 0.0 OUTLIER 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.722 1.264 . . . . 0.0 112.432 -172.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 115.7 -24.89 9.96 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 115.032 -3.093 . . . . 0.0 114.328 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -116.4 160.55 20.39 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 123.073 3.437 . . . . 0.0 111.152 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.361 1.094 0 CA-C-N 119.57 1.077 . . . . 0.0 111.312 167.343 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.572 0 CA-C-O 115.331 -2.271 . . . . 0.0 105.438 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.74 50.38 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 123.24 2.745 . . . . 0.0 108.108 -175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.31 137.9 56.82 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.703 -173.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.59 -7.19 33.94 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-O 116.779 -2.123 . . . . 0.0 113.293 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 166.23 11.57 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-N 120.163 1.982 . . . . 0.0 110.871 -175.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -56.08 110.15 0.53 Allowed 'Trans proline' 0 C--N 1.367 1.539 0 N-CA-C 116.893 1.843 . . . . 0.0 116.893 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.294 17.8 p -127.03 152.43 47.28 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.8 168.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -117.39 131.24 56.81 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -62.64 6.57 0.09 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 pt -92.67 -35.75 7.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 121.421 1.919 . . . . 0.0 108.922 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.71 106.55 13.18 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -110.16 113.01 25.35 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.61 72.79 1.46 Allowed 'General case' 0 C--N 1.357 0.914 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 160.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.4 m -96.27 164.73 12.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.088 1.767 . . . . 0.0 110.706 -172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -76.04 0.07 Allowed 'General case' 0 C--N 1.36 1.027 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 169.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.6 p -132.99 137.79 46.64 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 116.698 -1.62 . . . . 0.0 110.129 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.64 -159.92 24.05 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-N 120.519 1.509 . . . . 0.0 113.477 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -125.47 139.25 53.79 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-O 117.078 -1.439 . . . . 0.0 109.169 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 m -88.87 121.67 31.47 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.266 1.394 . . . . 0.0 107.596 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -119.37 146.99 44.86 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -41.22 80.94 0.0 OUTLIER 'General case' 0 C--N 1.349 0.547 0 CA-C-N 120.916 1.689 . . . . 0.0 113.934 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 117.05 -19.22 12.03 Favored Glycine 0 C--N 1.357 1.746 0 CA-C-O 116.947 -2.03 . . . . 0.0 115.895 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -116.47 138.9 51.01 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 121.612 2.706 . . . . 0.0 109.271 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.363 1.165 0 CA-C-N 121.638 2.017 . . . . 0.0 108.842 156.766 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt . . . . . 0 CA--C 1.512 -0.482 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.92 115.96 24.85 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.302 0.501 . . . . 0.0 111.591 -165.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.35 128.38 35.56 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 116.172 -1.87 . . . . 0.0 106.606 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.37 -7.4 34.59 Favored Glycine 0 C--N 1.36 1.891 0 CA-C-O 114.457 -3.413 . . . . 0.0 117.956 -160.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -118.11 160.78 37.81 Favored Pre-proline 0 C--N 1.361 1.095 0 CA-C-N 123.979 3.89 . . . . 0.0 112.321 -169.275 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' N ' ' HG2' ' A' ' 6' ' ' LYS . 2.7 Cg_endo -38.22 118.03 0.29 Allowed 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 121.638 1.559 . . . . 0.0 115.197 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -120.01 125.93 49.57 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 126.973 2.109 . . . . 0.0 108.398 -168.437 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 t -134.49 105.28 6.47 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -61.92 40.59 0.01 OUTLIER 'General case' 0 C--N 1.361 1.073 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -104.07 -45.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.74 130.95 54.26 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 115.275 -2.297 . . . . 0.0 108.357 168.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 13' ' ' TYR 0.256 0.0 OUTLIER -120.6 124.42 45.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 122.447 2.385 . . . . 0.0 107.277 166.627 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -111.31 72.17 0.77 Allowed 'General case' 0 C--N 1.356 0.887 1 CA-C-O 111.676 -4.012 . . . . 0.0 112.108 147.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.39 158.99 15.81 Favored 'General case' 0 N--CA 1.48 1.072 1 CA-C-N 129.541 5.609 . . . . 0.0 107.999 -169.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -65.54 0.66 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -172.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.6 p -121.46 113.32 19.68 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 115.314 -2.279 . . . . 0.0 110.268 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.29 -150.17 20.15 Favored Glycine 0 C--N 1.362 1.974 0 N-CA-C 120.304 2.882 . . . . 0.0 120.304 158.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -121.4 125.89 48.05 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 113.281 -3.247 . . . . 0.0 111.382 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.0 t -97.69 118.79 35.01 Favored 'General case' 0 C--N 1.357 0.906 1 CA-C-N 127.116 4.507 . . . . 0.0 101.119 -161.361 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' N ' ' SG ' ' A' ' 8' ' ' CYS 0.283 21.5 mmt180 -120.86 129.17 53.42 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 108.467 -3.969 . . . . 0.0 107.506 -152.721 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -58.14 73.22 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 124.286 3.221 . . . . 0.0 114.231 -149.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.54 -22.91 18.98 Favored Glycine 0 C--N 1.367 2.271 0 CA-C-O 116.303 -2.387 . . . . 0.0 117.09 -161.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' ARG . 37.7 ttmt -118.77 141.46 48.61 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 122.065 2.933 . . . . 0.0 110.125 173.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.364 1.204 0 CA-C-N 122.562 2.437 . . . . 0.0 109.522 170.895 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.531 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.93 130.22 55.44 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.917 1.69 . . . . 0.0 111.302 -158.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 132.41 15.32 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-O 117.541 -1.218 . . . . 0.0 111.676 -169.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.81 -1.08 38.88 Favored Glycine 0 C--N 1.361 1.94 0 CA-C-O 117.271 -1.849 . . . . 0.0 114.35 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 162.33 20.57 Favored Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 120.615 2.207 . . . . 0.0 108.238 -169.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.12 134.06 37.96 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 121.269 1.489 . . . . 0.0 113.098 -163.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t -126.81 144.97 50.81 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.403 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 30.2 t -128.1 111.9 13.99 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' N ' ' SG ' ' A' ' 20' ' ' CYS 0.252 20.4 ttp-105 -61.59 15.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.957 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.521 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.9 mt -92.19 -44.13 14.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 121.418 1.917 . . . . 0.0 106.221 164.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.72 105.32 12.9 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.579 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 p90 -108.62 125.22 51.62 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.259 -0.877 . . . . 0.0 109.361 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.85 64.71 1.59 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 114.439 -2.695 . . . . 0.0 110.861 165.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -93.02 146.25 23.77 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 124.023 3.101 . . . . 0.0 111.273 -172.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 4.9 t -68.62 -57.71 5.32 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -127.97 106.33 9.01 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.289 -1.815 . . . . 0.0 109.23 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.2 -155.86 24.17 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 120.764 1.62 . . . . 0.0 115.678 167.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 t -121.73 149.22 43.58 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.889 0.876 . . . . 0.0 110.51 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 10' ' ' ARG . 37.2 t -83.52 120.08 25.5 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.2 mtt180 -122.45 153.97 38.4 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.388 -1.292 . . . . 0.0 110.286 -170.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.7 t -50.2 77.23 0.0 OUTLIER 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.655 1.222 . . . . 0.0 111.551 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 110.33 -23.04 21.54 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-O 116.163 -2.465 . . . . 0.0 112.941 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -120.79 147.55 45.19 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.493 2.646 . . . . 0.0 108.408 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.434 ' SG ' ' HE2' ' A' ' 2' ' ' LYS . 1.2 t . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 15.7 mmmt . . . . . 0 C--O 1.215 -0.723 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.739 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.27 33.04 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.69 134.22 12.9 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.703 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.98 -7.11 35.34 Favored Glycine 0 C--N 1.357 1.723 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.522 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 164.84 14.64 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-N 120.989 2.394 . . . . 0.0 110.814 -167.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.32 101.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.372 1.815 0 N-CA-C 118.664 2.525 . . . . 0.0 118.664 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.305 14.7 p -134.89 151.81 51.21 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.951 -1.024 . . . . 0.0 113.494 169.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 p -119.19 125.05 48.27 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -64.56 13.79 0.03 OUTLIER 'General case' 0 C--N 1.359 0.994 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.9 pt -99.27 -40.36 8.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 CA-C-N 121.795 2.089 . . . . 0.0 108.376 165.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.14 86.09 2.51 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.778 1.626 . . . . 0.0 109.78 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -128.74 127.99 43.14 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.752 1.615 . . . . 0.0 114.382 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -116.14 88.99 3.0 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-O 116.84 -1.553 . . . . 0.0 107.171 166.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.1 m -102.04 170.36 8.17 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.709 2.05 . . . . 0.0 112.743 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 71.2 m -62.37 -88.17 0.01 OUTLIER 'General case' 0 C--N 1.362 1.136 0 CA-C-O 116.887 -1.53 . . . . 0.0 107.798 170.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -128.84 144.04 51.06 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 121.227 1.83 . . . . 0.0 109.082 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.55 -159.97 25.46 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 119.917 1.235 . . . . 0.0 112.539 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -128.51 136.88 51.39 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.705 -2.093 . . . . 0.0 110.264 -173.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 5.8 m -88.97 128.12 35.68 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-N 121.298 1.863 . . . . 0.0 109.849 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 8.2 ttt-85 -128.4 153.02 47.52 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 115.473 -2.204 . . . . 0.0 106.821 -167.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -46.01 78.42 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.414 1.461 . . . . 0.0 112.412 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.46 -24.87 11.73 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.936 -2.036 . . . . 0.0 114.29 178.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -117.24 158.74 23.8 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.048 2.424 . . . . 0.0 110.596 -173.297 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.3 t . . . . . 0 C--N 1.359 1.009 0 CA-C-N 119.452 1.024 . . . . 0.0 111.3 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.59 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.15 126.41 48.26 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 121.087 1.767 . . . . 0.0 108.615 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.45 136.34 25.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.534 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.9 28.78 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 116.456 -2.302 . . . . 0.0 112.882 -171.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.41 162.79 19.42 Favored Pre-proline 0 C--N 1.359 1.004 0 CA-C-N 120.748 2.274 . . . . 0.0 111.21 -173.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -52.59 127.21 23.46 Favored 'Trans proline' 0 C--N 1.368 1.577 0 N-CA-C 117.605 2.117 . . . . 0.0 117.605 -169.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.8 152.0 51.89 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.618 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -127.72 112.11 14.44 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -53.3 -16.6 1.37 Allowed 'General case' 0 C--N 1.36 1.023 0 CA-C-N 120.262 1.392 . . . . 0.0 113.283 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 pt -84.38 -36.62 11.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 120.777 1.626 . . . . 0.0 106.762 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.22 76.3 1.59 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.875 -1.536 . . . . 0.0 110.962 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -127.97 128.84 45.79 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 116.223 -1.846 . . . . 0.0 113.06 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -124.51 58.12 1.23 Allowed 'General case' 0 C--N 1.361 1.106 0 CA-C-N 121.819 2.1 . . . . 0.0 111.901 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.02 163.05 14.13 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 123.099 2.681 . . . . 0.0 112.681 -166.297 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -68.95 0.19 Allowed 'General case' 0 C--N 1.364 1.214 0 CA-C-N 119.891 1.223 . . . . 0.0 107.716 -166.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -128.64 136.82 51.18 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 116.48 -1.724 . . . . 0.0 109.529 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.63 23.55 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-N 120.641 1.564 . . . . 0.0 114.076 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -128.88 140.91 51.47 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.232 -1.842 . . . . 0.0 110.026 -173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.66 117.1 25.2 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 121.598 1.999 . . . . 0.0 107.517 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.1 ptm180 -112.79 158.59 19.93 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -38.2 76.62 0.0 OUTLIER 'General case' 0 C--N 1.349 0.585 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 108.41 -19.3 31.82 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 115.935 -2.592 . . . . 0.0 114.768 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -121.38 142.5 49.94 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 121.848 2.824 . . . . 0.0 111.564 -171.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.365 1.258 0 CA-C-N 121.435 1.925 . . . . 0.0 111.006 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.7 112.94 25.88 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.42 130.91 20.49 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.64 -5.1 21.01 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 114.419 -3.434 . . . . 0.0 115.156 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 164.64 14.48 Favored Pre-proline 0 C--N 1.362 1.15 0 CA-C-N 123.923 3.861 . . . . 0.0 110.366 -175.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -57.19 105.23 0.17 Allowed 'Trans proline' 0 C--N 1.368 1.559 0 CA-C-N 121.675 1.634 . . . . 0.0 113.884 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -128.27 155.72 44.14 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.961 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 m -118.76 126.46 51.92 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -64.95 30.97 0.02 OUTLIER 'General case' 0 C--N 1.357 0.894 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mt -94.97 -44.0 13.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 159.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.56 112.71 20.93 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -109.11 122.26 46.9 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 177.358 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -131.26 51.35 2.15 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.633 1.56 . . . . 0.0 110.579 159.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 m -78.44 144.55 35.72 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 -169.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.7 t -63.17 -48.6 77.7 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 118.563 -1.255 . . . . 0.0 107.952 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.0 p -129.57 100.75 5.65 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.615 -1.66 . . . . 0.0 110.277 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.91 -158.12 27.29 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-N 120.626 1.557 . . . . 0.0 115.447 169.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -126.75 144.83 50.83 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.762 -1.59 . . . . 0.0 110.672 -168.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -82.36 125.67 31.29 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.873 1.669 . . . . 0.0 106.523 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' GLY . 29.0 tpt180 -127.43 156.04 42.72 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 115.181 -2.342 . . . . 0.0 105.631 -168.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -40.27 77.41 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 121.387 1.903 . . . . 0.0 114.456 -170.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.01 -18.36 36.81 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-O 116.832 -2.093 . . . . 0.0 113.558 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -121.4 146.31 47.02 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.742 2.271 . . . . 0.0 111.179 -167.795 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.359 1.005 0 CA-C-N 120.531 1.514 . . . . 0.0 110.257 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.576 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.31 44.44 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 121.734 2.061 . . . . 0.0 111.08 -154.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.87 135.93 47.49 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.1 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.02 -8.84 31.51 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 115.842 -2.643 . . . . 0.0 113.368 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 161.48 24.32 Favored Pre-proline 0 C--N 1.36 1.053 0 CA-C-N 121.688 2.744 . . . . 0.0 111.736 -172.217 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.83 112.93 1.78 Allowed 'Trans proline' 0 C--N 1.368 1.566 0 N-CA-C 115.963 1.486 . . . . 0.0 115.963 -171.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 25' ' ' CYS . 28.7 p -135.45 153.07 51.89 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.179 -1.391 . . . . 0.0 113.0 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.4 m -121.37 117.19 26.31 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.481 1.0 OUTLIER -60.75 16.95 0.01 OUTLIER 'General case' 0 C--N 1.362 1.138 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 -176.204 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.0 mt -90.91 -45.41 14.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 164.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.2 67.21 0.93 Allowed 'General case' 0 C--N 1.358 0.96 0 CA-C-N 119.475 1.034 . . . . 0.0 110.351 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -131.1 139.86 49.92 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.042 -1.456 . . . . 0.0 114.588 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.3 129.09 55.67 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 114.92 -2.467 . . . . 0.0 106.396 150.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.9 m -98.46 154.22 18.04 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 123.334 2.788 . . . . 0.0 105.332 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -64.41 -53.87 41.62 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 m -128.84 85.29 2.31 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.122 -1.418 . . . . 0.0 110.732 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.96 -153.74 22.9 Favored Glycine 0 C--N 1.359 1.846 0 N-CA-C 116.776 1.47 . . . . 0.0 116.776 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 t -124.61 146.34 49.12 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 116.573 -1.679 . . . . 0.0 110.36 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.87 130.44 35.07 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 121.257 1.844 . . . . 0.0 109.17 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -111.65 150.33 30.28 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -174.417 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -39.24 80.12 0.0 OUTLIER 'General case' 0 C--N 1.349 0.574 0 CA-C-N 122.949 2.613 . . . . 0.0 115.029 -164.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.16 -15.7 22.94 Favored Glycine 0 C--N 1.36 1.881 0 CA-C-O 117.15 -1.917 . . . . 0.0 115.395 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.262 3.9 ttmp? -120.31 151.73 38.81 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 115.474 -2.203 . . . . 0.0 110.448 -168.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.362 1.126 0 CA-C-N 121.82 2.1 . . . . 0.0 111.13 175.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 3.3 mmmt . . . . . 0 CA--C 1.509 -0.634 0 CA-C-O 118.666 -0.683 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.31 122.49 47.98 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -173.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.35 134.19 34.24 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 172.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.45 -9.38 32.89 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 116.206 -2.441 . . . . 0.0 113.896 -168.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -103.31 159.52 29.04 Favored Pre-proline 0 C--N 1.358 0.964 0 CA-C-N 122.156 2.978 . . . . 0.0 111.708 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.31 112.24 0.99 Allowed 'Trans proline' 0 C--N 1.367 1.513 0 CA-C-N 121.595 1.605 . . . . 0.0 115.105 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 18.8 p -128.76 153.27 47.55 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-O 117.808 -1.092 . . . . 0.0 112.221 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.5 p -128.09 127.55 43.27 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -60.16 3.37 0.07 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.9 pt -91.38 -38.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 121.252 1.842 . . . . 0.0 107.243 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.29 68.82 1.35 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.732 1.606 . . . . 0.0 111.604 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.5 p90 -129.1 137.42 51.23 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-N 120.42 1.464 . . . . 0.0 114.634 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -118.89 132.02 56.08 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 115.587 -2.149 . . . . 0.0 107.317 150.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -101.68 168.51 9.42 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 122.637 2.471 . . . . 0.0 105.789 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 6.1 t -63.3 -56.44 16.4 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 121.289 1.858 . . . . 0.0 106.073 174.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -131.13 122.44 26.66 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 115.804 -2.046 . . . . 0.0 109.315 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.46 -158.7 25.05 Favored Glycine 0 C--N 1.358 1.783 0 CA-C-N 121.63 2.014 . . . . 0.0 116.01 166.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -127.02 146.02 50.5 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-O 117.275 -1.345 . . . . 0.0 110.14 -170.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.98 127.0 33.14 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.474 1.488 . . . . 0.0 108.379 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.5 mmm180 -115.05 154.39 28.94 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.433 -174.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.09 77.44 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 O-C-N 124.532 1.145 . . . . 0.0 113.103 -170.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 109.61 -21.98 24.93 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-O 116.587 -2.23 . . . . 0.0 113.469 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 55.2 mttp -120.55 144.41 48.08 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 121.236 2.518 . . . . 0.0 112.018 -172.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.504 -0.821 0 CA-C-N 119.421 1.01 . . . . 0.0 109.365 -175.447 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.2 ttpt . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 117.588 -1.196 . . . . 0.0 108.791 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.86 127.48 54.08 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.2 1.818 . . . . 0.0 110.992 -166.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.4 134.59 5.05 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.4 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.74 -8.94 32.17 Favored Glycine 0 C--N 1.357 1.714 0 CA-C-O 116.184 -2.453 . . . . 0.0 112.457 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.03 165.06 13.38 Favored Pre-proline 0 C--N 1.36 1.063 0 CA-C-N 121.133 2.467 . . . . 0.0 110.543 -173.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -49.37 122.15 8.17 Favored 'Trans proline' 0 C--N 1.366 1.482 0 CA-C-N 121.517 1.578 . . . . 0.0 114.438 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -129.23 141.1 51.23 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.009 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 t -124.46 124.31 42.02 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 124.02 0.825 . . . . 0.0 108.781 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -61.97 22.82 0.01 OUTLIER 'General case' 0 C--N 1.357 0.918 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -101.64 -46.76 11.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 121.417 1.917 . . . . 0.0 108.103 161.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.52 115.44 24.03 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.985 -1.483 . . . . 0.0 108.013 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -110.74 118.26 35.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.734 1.152 . . . . 0.0 107.908 173.899 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.71 49.7 1.51 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 167.114 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t -96.24 149.03 22.11 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.595 1.089 . . . . 0.0 110.119 -167.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 95.4 m -65.41 -58.58 5.5 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.029 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -122.61 78.68 1.55 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.642 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.55 -156.88 24.92 Favored Glycine 0 C--N 1.357 1.726 0 N-CA-C 115.09 0.796 . . . . 0.0 115.09 166.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -124.82 152.11 44.36 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.514 -1.231 . . . . 0.0 108.522 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.7 m -73.79 132.88 43.06 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.752 1.614 . . . . 0.0 108.901 -170.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -115.98 147.63 40.98 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 104.235 -2.505 . . . . 0.0 104.235 -173.6 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.9 t -45.4 77.65 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.966 1.712 . . . . 0.0 114.691 -164.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.12 -20.41 33.25 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 118.175 -1.347 . . . . 0.0 113.302 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -125.37 143.42 50.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.223 -1.846 . . . . 0.0 109.795 -171.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.36 1.023 0 CA-C-N 121.508 1.958 . . . . 0.0 107.337 169.346 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 3.8 mtpt . . . . . 0 C--O 1.217 -0.63 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.22 127.54 54.84 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.35 133.57 52.96 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 169.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.99 -5.9 29.01 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-O 116.547 -2.252 . . . . 0.0 113.406 -174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -106.12 160.49 25.99 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-N 121.317 2.558 . . . . 0.0 111.645 -169.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -56.76 102.61 0.11 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 CA-C-N 121.354 1.519 . . . . 0.0 114.741 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -126.98 152.33 47.35 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.65 -1.167 . . . . 0.0 110.574 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -118.43 131.57 56.27 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.7 28.99 0.02 OUTLIER 'General case' 0 C--N 1.358 0.976 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 -177.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.61 -44.97 9.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 119.55 1.068 . . . . 0.0 108.61 162.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.09 97.79 5.85 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.824 1.193 . . . . 0.0 108.291 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.9 p90 -118.24 121.25 39.99 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-N 119.13 0.877 . . . . 0.0 110.857 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.09 83.24 2.11 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.902 1.683 . . . . 0.0 106.789 156.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.45 160.32 14.39 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 121.49 1.95 . . . . 0.0 109.36 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 3.9 t -67.74 -50.03 59.43 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.502 -177.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -131.48 65.73 1.56 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.166 -1.397 . . . . 0.0 114.062 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.48 -155.88 26.71 Favored Glycine 0 C--N 1.36 1.913 0 N-CA-C 118.841 2.297 . . . . 0.0 118.841 167.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t -124.98 148.7 48.3 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-O 118.263 -0.875 . . . . 0.0 113.202 -157.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.8 m -87.4 121.44 29.85 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.115 0.87 . . . . 0.0 111.616 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 tmt_? -119.05 144.89 46.31 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -33.06 79.59 0.0 OUTLIER 'General case' 0 C--N 1.348 0.523 0 CA-C-N 122.154 2.252 . . . . 0.0 115.894 -162.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 111.09 -17.72 26.68 Favored Glycine 0 C--N 1.36 1.895 0 CA-C-O 117.637 -1.646 . . . . 0.0 115.048 173.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.268 85.4 tttt -123.26 146.49 47.82 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 114.916 -2.468 . . . . 0.0 109.199 -169.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.364 1.205 0 CA-C-N 122.388 2.358 . . . . 0.0 112.24 176.639 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.217 -0.62 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.29 126.34 44.97 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.739 2.063 . . . . 0.0 110.141 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.6 137.56 15.28 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.677 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.9 -9.61 29.66 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 116.303 -2.387 . . . . 0.0 112.072 -171.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 162.36 22.72 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-N 120.941 2.371 . . . . 0.0 110.968 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.79 126.52 17.57 Favored 'Trans proline' 0 C--N 1.365 1.415 0 N-CA-C 118.442 2.439 . . . . 0.0 118.442 -165.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -139.27 156.75 46.85 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.422 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -115.35 121.23 42.19 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.07 -2.5 0.17 Allowed 'General case' 0 C--N 1.36 1.062 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.41 -44.96 15.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 122.103 2.228 . . . . 0.0 105.744 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.18 77.92 1.6 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.175 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p90 -124.14 128.68 49.62 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 120.63 1.559 . . . . 0.0 114.034 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.94 102.65 8.93 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 162.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.95 -176.53 3.1 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 121.352 1.887 . . . . 0.0 107.477 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -75.89 0.06 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 169.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -135.63 156.01 49.54 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.379 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.49 -158.65 22.57 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-N 119.663 1.12 . . . . 0.0 113.363 165.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -126.07 139.42 53.41 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.205 -1.379 . . . . 0.0 109.1 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' SG ' ' CG ' ' A' ' 13' ' ' TYR . 7.1 m -87.54 126.23 34.8 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.277 1.399 . . . . 0.0 109.487 -177.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.6 mtm180 -118.36 153.27 34.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.372 -1.775 . . . . 0.0 107.308 -175.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.3 78.86 0.0 OUTLIER 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.722 1.264 . . . . 0.0 112.432 -172.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 115.7 -24.89 9.96 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 115.032 -3.093 . . . . 0.0 114.328 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -116.4 160.55 20.39 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 123.073 3.437 . . . . 0.0 111.152 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.361 1.094 0 CA-C-N 119.57 1.077 . . . . 0.0 111.312 167.343 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 165.42 12.56 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 115.331 -2.271 . . . . 0.0 105.438 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.74 50.38 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 123.24 2.745 . . . . 0.0 108.108 -175.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.31 137.9 56.82 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.703 -173.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.59 -7.19 33.94 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-O 116.779 -2.123 . . . . 0.0 113.293 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 166.23 11.57 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-N 120.163 1.982 . . . . 0.0 110.871 -175.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -56.08 110.15 0.53 Allowed 'Trans proline' 0 C--N 1.367 1.539 0 N-CA-C 116.893 1.843 . . . . 0.0 116.893 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.294 17.8 p -127.03 152.43 47.28 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.8 168.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -117.39 131.24 56.81 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -62.64 6.57 0.09 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 pt -92.67 -35.75 7.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 121.421 1.919 . . . . 0.0 108.922 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.71 106.55 13.18 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -110.16 113.01 25.35 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.61 72.79 1.46 Allowed 'General case' 0 C--N 1.357 0.914 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 160.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.4 m -96.27 164.73 12.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.088 1.767 . . . . 0.0 110.706 -172.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -76.04 0.07 Allowed 'General case' 0 C--N 1.36 1.027 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 169.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.6 p -132.99 137.79 46.64 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 116.698 -1.62 . . . . 0.0 110.129 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.64 -159.92 24.05 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-N 120.519 1.509 . . . . 0.0 113.477 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -125.47 139.25 53.79 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-O 117.078 -1.439 . . . . 0.0 109.169 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 m -88.87 121.67 31.47 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.266 1.394 . . . . 0.0 107.596 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -119.37 146.99 44.86 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -41.22 80.94 0.0 OUTLIER 'General case' 0 C--N 1.349 0.547 0 CA-C-N 120.916 1.689 . . . . 0.0 113.934 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 117.05 -19.22 12.03 Favored Glycine 0 C--N 1.357 1.746 0 CA-C-O 116.947 -2.03 . . . . 0.0 115.895 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -116.47 138.9 51.01 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 121.612 2.706 . . . . 0.0 109.271 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.363 1.165 0 CA-C-N 121.638 2.017 . . . . 0.0 108.842 156.766 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 CA--C 1.513 -0.451 0 CA-C-O 116.653 -1.641 . . . . 0.0 106.652 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -104.38 176.25 5.22 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 121.26 1.845 . . . . 0.0 108.323 -177.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.92 115.96 24.85 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.302 0.501 . . . . 0.0 111.591 -165.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.35 128.38 35.56 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 116.172 -1.87 . . . . 0.0 106.606 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.37 -7.4 34.59 Favored Glycine 0 C--N 1.36 1.891 0 CA-C-O 114.457 -3.413 . . . . 0.0 117.956 -160.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -118.11 160.78 37.81 Favored Pre-proline 0 C--N 1.361 1.095 0 CA-C-N 123.979 3.89 . . . . 0.0 112.321 -169.275 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' N ' ' HG2' ' A' ' 6' ' ' LYS . 2.7 Cg_endo -38.22 118.03 0.29 Allowed 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 121.638 1.559 . . . . 0.0 115.197 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -120.01 125.93 49.57 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 126.973 2.109 . . . . 0.0 108.398 -168.437 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 t -134.49 105.28 6.47 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -61.92 40.59 0.01 OUTLIER 'General case' 0 C--N 1.361 1.073 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -104.07 -45.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.74 130.95 54.26 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 115.275 -2.297 . . . . 0.0 108.357 168.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 13' ' ' TYR 0.256 0.0 OUTLIER -120.6 124.42 45.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 122.447 2.385 . . . . 0.0 107.277 166.627 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -111.31 72.17 0.77 Allowed 'General case' 0 C--N 1.356 0.887 1 CA-C-O 111.676 -4.012 . . . . 0.0 112.108 147.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.39 158.99 15.81 Favored 'General case' 0 N--CA 1.48 1.072 1 CA-C-N 129.541 5.609 . . . . 0.0 107.999 -169.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -65.54 0.66 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -172.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.6 p -121.46 113.32 19.68 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 115.314 -2.279 . . . . 0.0 110.268 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.29 -150.17 20.15 Favored Glycine 0 C--N 1.362 1.974 0 N-CA-C 120.304 2.882 . . . . 0.0 120.304 158.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -121.4 125.89 48.05 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 113.281 -3.247 . . . . 0.0 111.382 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.0 t -97.69 118.79 35.01 Favored 'General case' 0 C--N 1.357 0.906 1 CA-C-N 127.116 4.507 . . . . 0.0 101.119 -161.361 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' N ' ' SG ' ' A' ' 8' ' ' CYS 0.283 21.5 mmt180 -120.86 129.17 53.42 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 108.467 -3.969 . . . . 0.0 107.506 -152.721 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -58.14 73.22 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 124.286 3.221 . . . . 0.0 114.231 -149.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.54 -22.91 18.98 Favored Glycine 0 C--N 1.367 2.271 0 CA-C-O 116.303 -2.387 . . . . 0.0 117.09 -161.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' ARG . 37.7 ttmt -118.77 141.46 48.61 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 122.065 2.933 . . . . 0.0 110.125 173.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.364 1.204 0 CA-C-N 122.562 2.437 . . . . 0.0 109.522 170.895 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -94.19 139.45 31.0 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 -177.493 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.93 130.22 55.44 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.917 1.69 . . . . 0.0 111.302 -158.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 132.41 15.32 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-O 117.541 -1.218 . . . . 0.0 111.676 -169.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.81 -1.08 38.88 Favored Glycine 0 C--N 1.361 1.94 0 CA-C-O 117.271 -1.849 . . . . 0.0 114.35 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 162.33 20.57 Favored Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 120.615 2.207 . . . . 0.0 108.238 -169.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.12 134.06 37.96 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 121.269 1.489 . . . . 0.0 113.098 -163.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t -126.81 144.97 50.81 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.403 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 30.2 t -128.1 111.9 13.99 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' N ' ' SG ' ' A' ' 20' ' ' CYS 0.252 20.4 ttp-105 -61.59 15.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.957 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.521 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.9 mt -92.19 -44.13 14.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 121.418 1.917 . . . . 0.0 106.221 164.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.72 105.32 12.9 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 p90 -108.62 125.22 51.62 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.259 -0.877 . . . . 0.0 109.361 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.85 64.71 1.59 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 114.439 -2.695 . . . . 0.0 110.861 165.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -93.02 146.25 23.77 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 124.023 3.101 . . . . 0.0 111.273 -172.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 4.9 t -68.62 -57.71 5.32 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -127.97 106.33 9.01 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.289 -1.815 . . . . 0.0 109.23 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.2 -155.86 24.17 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 120.764 1.62 . . . . 0.0 115.678 167.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 t -121.73 149.22 43.58 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.889 0.876 . . . . 0.0 110.51 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 10' ' ' ARG . 37.2 t -83.52 120.08 25.5 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.2 mtt180 -122.45 153.97 38.4 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.388 -1.292 . . . . 0.0 110.286 -170.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.7 t -50.2 77.23 0.0 OUTLIER 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.655 1.222 . . . . 0.0 111.551 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 110.33 -23.04 21.54 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-O 116.163 -2.465 . . . . 0.0 112.941 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -120.79 147.55 45.19 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.493 2.646 . . . . 0.0 108.408 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.434 ' SG ' ' HE2' ' A' ' 2' ' ' LYS . 1.2 t . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 15.7 mmmt -90.2 171.72 9.3 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.627 1.558 . . . . 0.0 112.739 -169.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.27 33.04 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.69 134.22 12.9 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.703 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.98 -7.11 35.34 Favored Glycine 0 C--N 1.357 1.723 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.522 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 164.84 14.64 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-N 120.989 2.394 . . . . 0.0 110.814 -167.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.32 101.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.372 1.815 0 N-CA-C 118.664 2.525 . . . . 0.0 118.664 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.305 14.7 p -134.89 151.81 51.21 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.951 -1.024 . . . . 0.0 113.494 169.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 p -119.19 125.05 48.27 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -64.56 13.79 0.03 OUTLIER 'General case' 0 C--N 1.359 0.994 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.9 pt -99.27 -40.36 8.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 CA-C-N 121.795 2.089 . . . . 0.0 108.376 165.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.14 86.09 2.51 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.778 1.626 . . . . 0.0 109.78 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -128.74 127.99 43.14 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.752 1.615 . . . . 0.0 114.382 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.6 p30 -116.14 88.99 3.0 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-O 116.84 -1.553 . . . . 0.0 107.171 166.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.1 m -102.04 170.36 8.17 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.709 2.05 . . . . 0.0 112.743 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 71.2 m -62.37 -88.17 0.01 OUTLIER 'General case' 0 C--N 1.362 1.136 0 CA-C-O 116.887 -1.53 . . . . 0.0 107.798 170.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -128.84 144.04 51.06 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 121.227 1.83 . . . . 0.0 109.082 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.55 -159.97 25.46 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 119.917 1.235 . . . . 0.0 112.539 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -128.51 136.88 51.39 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.705 -2.093 . . . . 0.0 110.264 -173.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 5.8 m -88.97 128.12 35.68 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-N 121.298 1.863 . . . . 0.0 109.849 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 8.2 ttt-85 -128.4 153.02 47.52 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 115.473 -2.204 . . . . 0.0 106.821 -167.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -46.01 78.42 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.414 1.461 . . . . 0.0 112.412 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.46 -24.87 11.73 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.936 -2.036 . . . . 0.0 114.29 178.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -117.24 158.74 23.8 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.048 2.424 . . . . 0.0 110.596 -173.297 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.3 t . . . . . 0 C--N 1.359 1.009 0 CA-C-N 119.452 1.024 . . . . 0.0 111.3 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 117.676 -1.154 . . . . 0.0 108.335 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.79 158.75 15.73 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.15 126.41 48.26 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 121.087 1.767 . . . . 0.0 108.615 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.45 136.34 25.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.534 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.9 28.78 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 116.456 -2.302 . . . . 0.0 112.882 -171.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.41 162.79 19.42 Favored Pre-proline 0 C--N 1.359 1.004 0 CA-C-N 120.748 2.274 . . . . 0.0 111.21 -173.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -52.59 127.21 23.46 Favored 'Trans proline' 0 C--N 1.368 1.577 0 N-CA-C 117.605 2.117 . . . . 0.0 117.605 -169.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.8 152.0 51.89 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.618 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -127.72 112.11 14.44 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -53.3 -16.6 1.37 Allowed 'General case' 0 C--N 1.36 1.023 0 CA-C-N 120.262 1.392 . . . . 0.0 113.283 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 pt -84.38 -36.62 11.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 120.777 1.626 . . . . 0.0 106.762 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.22 76.3 1.59 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.875 -1.536 . . . . 0.0 110.962 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -127.97 128.84 45.79 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 116.223 -1.846 . . . . 0.0 113.06 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -124.51 58.12 1.23 Allowed 'General case' 0 C--N 1.361 1.106 0 CA-C-N 121.819 2.1 . . . . 0.0 111.901 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.02 163.05 14.13 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 123.099 2.681 . . . . 0.0 112.681 -166.297 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -68.95 0.19 Allowed 'General case' 0 C--N 1.364 1.214 0 CA-C-N 119.891 1.223 . . . . 0.0 107.716 -166.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -128.64 136.82 51.18 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 116.48 -1.724 . . . . 0.0 109.529 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.63 23.55 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-N 120.641 1.564 . . . . 0.0 114.076 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -128.88 140.91 51.47 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.232 -1.842 . . . . 0.0 110.026 -173.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.66 117.1 25.2 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 121.598 1.999 . . . . 0.0 107.517 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.1 ptm180 -112.79 158.59 19.93 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -38.2 76.62 0.0 OUTLIER 'General case' 0 C--N 1.349 0.585 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 108.41 -19.3 31.82 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 115.935 -2.592 . . . . 0.0 114.768 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -121.38 142.5 49.94 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 121.848 2.824 . . . . 0.0 111.564 -171.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.365 1.258 0 CA-C-N 121.435 1.925 . . . . 0.0 111.006 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -90.75 161.31 15.37 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.125 1.329 . . . . 0.0 111.555 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.7 112.94 25.88 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.42 130.91 20.49 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.64 -5.1 21.01 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 114.419 -3.434 . . . . 0.0 115.156 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 164.64 14.48 Favored Pre-proline 0 C--N 1.362 1.15 0 CA-C-N 123.923 3.861 . . . . 0.0 110.366 -175.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -57.19 105.23 0.17 Allowed 'Trans proline' 0 C--N 1.368 1.559 0 CA-C-N 121.675 1.634 . . . . 0.0 113.884 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -128.27 155.72 44.14 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.961 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 m -118.76 126.46 51.92 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -64.95 30.97 0.02 OUTLIER 'General case' 0 C--N 1.357 0.894 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mt -94.97 -44.0 13.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 159.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.56 112.71 20.93 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -109.11 122.26 46.9 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 177.358 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -131.26 51.35 2.15 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.633 1.56 . . . . 0.0 110.579 159.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 m -78.44 144.55 35.72 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 -169.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.7 t -63.17 -48.6 77.7 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 118.563 -1.255 . . . . 0.0 107.952 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.0 p -129.57 100.75 5.65 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.615 -1.66 . . . . 0.0 110.277 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.91 -158.12 27.29 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-N 120.626 1.557 . . . . 0.0 115.447 169.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -126.75 144.83 50.83 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.762 -1.59 . . . . 0.0 110.672 -168.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -82.36 125.67 31.29 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.873 1.669 . . . . 0.0 106.523 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' GLY . 29.0 tpt180 -127.43 156.04 42.72 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 115.181 -2.342 . . . . 0.0 105.631 -168.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -40.27 77.41 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 121.387 1.903 . . . . 0.0 114.456 -170.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.01 -18.36 36.81 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-O 116.832 -2.093 . . . . 0.0 113.558 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -121.4 146.31 47.02 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.742 2.271 . . . . 0.0 111.179 -167.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.359 1.005 0 CA-C-N 120.531 1.514 . . . . 0.0 110.257 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.221 -0.419 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.42 115.09 27.22 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -171.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.31 44.44 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 121.734 2.061 . . . . 0.0 111.08 -154.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.87 135.93 47.49 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.1 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.02 -8.84 31.51 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 115.842 -2.643 . . . . 0.0 113.368 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 161.48 24.32 Favored Pre-proline 0 C--N 1.36 1.053 0 CA-C-N 121.688 2.744 . . . . 0.0 111.736 -172.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.83 112.93 1.78 Allowed 'Trans proline' 0 C--N 1.368 1.566 0 N-CA-C 115.963 1.486 . . . . 0.0 115.963 -171.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 25' ' ' CYS . 28.7 p -135.45 153.07 51.89 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.179 -1.391 . . . . 0.0 113.0 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.4 m -121.37 117.19 26.31 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.481 1.0 OUTLIER -60.75 16.95 0.01 OUTLIER 'General case' 0 C--N 1.362 1.138 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 -176.204 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.0 mt -90.91 -45.41 14.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 164.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.2 67.21 0.93 Allowed 'General case' 0 C--N 1.358 0.96 0 CA-C-N 119.475 1.034 . . . . 0.0 110.351 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -131.1 139.86 49.92 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.042 -1.456 . . . . 0.0 114.588 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.3 129.09 55.67 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 114.92 -2.467 . . . . 0.0 106.396 150.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.9 m -98.46 154.22 18.04 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 123.334 2.788 . . . . 0.0 105.332 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -64.41 -53.87 41.62 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 m -128.84 85.29 2.31 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.122 -1.418 . . . . 0.0 110.732 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.96 -153.74 22.9 Favored Glycine 0 C--N 1.359 1.846 0 N-CA-C 116.776 1.47 . . . . 0.0 116.776 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 t -124.61 146.34 49.12 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 116.573 -1.679 . . . . 0.0 110.36 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.87 130.44 35.07 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 121.257 1.844 . . . . 0.0 109.17 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -111.65 150.33 30.28 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -174.417 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -39.24 80.12 0.0 OUTLIER 'General case' 0 C--N 1.349 0.574 0 CA-C-N 122.949 2.613 . . . . 0.0 115.029 -164.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.16 -15.7 22.94 Favored Glycine 0 C--N 1.36 1.881 0 CA-C-O 117.15 -1.917 . . . . 0.0 115.395 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.262 3.9 ttmp? -120.31 151.73 38.81 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 115.474 -2.203 . . . . 0.0 110.448 -168.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.362 1.126 0 CA-C-N 121.82 2.1 . . . . 0.0 111.13 175.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.828 -1.082 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 3.3 mmmt -87.43 152.6 22.1 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 120.236 1.38 . . . . 0.0 109.832 -175.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.31 122.49 47.98 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -173.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.35 134.19 34.24 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 172.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.45 -9.38 32.89 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 116.206 -2.441 . . . . 0.0 113.896 -168.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -103.31 159.52 29.04 Favored Pre-proline 0 C--N 1.358 0.964 0 CA-C-N 122.156 2.978 . . . . 0.0 111.708 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.31 112.24 0.99 Allowed 'Trans proline' 0 C--N 1.367 1.513 0 CA-C-N 121.595 1.605 . . . . 0.0 115.105 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 18.8 p -128.76 153.27 47.55 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-O 117.808 -1.092 . . . . 0.0 112.221 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.5 p -128.09 127.55 43.27 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -60.16 3.37 0.07 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.9 pt -91.38 -38.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 121.252 1.842 . . . . 0.0 107.243 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.29 68.82 1.35 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.732 1.606 . . . . 0.0 111.604 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.5 p90 -129.1 137.42 51.23 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-N 120.42 1.464 . . . . 0.0 114.634 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -118.89 132.02 56.08 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 115.587 -2.149 . . . . 0.0 107.317 150.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -101.68 168.51 9.42 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 122.637 2.471 . . . . 0.0 105.789 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 6.1 t -63.3 -56.44 16.4 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 121.289 1.858 . . . . 0.0 106.073 174.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -131.13 122.44 26.66 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 115.804 -2.046 . . . . 0.0 109.315 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.46 -158.7 25.05 Favored Glycine 0 C--N 1.358 1.783 0 CA-C-N 121.63 2.014 . . . . 0.0 116.01 166.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -127.02 146.02 50.5 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-O 117.275 -1.345 . . . . 0.0 110.14 -170.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.98 127.0 33.14 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.474 1.488 . . . . 0.0 108.379 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.5 mmm180 -115.05 154.39 28.94 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.433 -174.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.09 77.44 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 O-C-N 124.532 1.145 . . . . 0.0 113.103 -170.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 109.61 -21.98 24.93 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-O 116.587 -2.23 . . . . 0.0 113.469 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 55.2 mttp -120.55 144.41 48.08 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 121.236 2.518 . . . . 0.0 112.018 -172.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.504 -0.821 0 CA-C-N 119.421 1.01 . . . . 0.0 109.365 -175.447 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.2 ttpt -101.12 162.8 12.63 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.588 -1.196 . . . . 0.0 108.791 -175.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.86 127.48 54.08 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.2 1.818 . . . . 0.0 110.992 -166.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.4 134.59 5.05 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.4 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.74 -8.94 32.17 Favored Glycine 0 C--N 1.357 1.714 0 CA-C-O 116.184 -2.453 . . . . 0.0 112.457 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.03 165.06 13.38 Favored Pre-proline 0 C--N 1.36 1.063 0 CA-C-N 121.133 2.467 . . . . 0.0 110.543 -173.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -49.37 122.15 8.17 Favored 'Trans proline' 0 C--N 1.366 1.482 0 CA-C-N 121.517 1.578 . . . . 0.0 114.438 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -129.23 141.1 51.23 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.009 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 t -124.46 124.31 42.02 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 124.02 0.825 . . . . 0.0 108.781 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -61.97 22.82 0.01 OUTLIER 'General case' 0 C--N 1.357 0.918 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -101.64 -46.76 11.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 121.417 1.917 . . . . 0.0 108.103 161.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.52 115.44 24.03 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.985 -1.483 . . . . 0.0 108.013 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -110.74 118.26 35.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.734 1.152 . . . . 0.0 107.908 173.899 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.71 49.7 1.51 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 167.114 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t -96.24 149.03 22.11 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.595 1.089 . . . . 0.0 110.119 -167.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 95.4 m -65.41 -58.58 5.5 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.029 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -122.61 78.68 1.55 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.642 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.55 -156.88 24.92 Favored Glycine 0 C--N 1.357 1.726 0 N-CA-C 115.09 0.796 . . . . 0.0 115.09 166.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -124.82 152.11 44.36 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.514 -1.231 . . . . 0.0 108.522 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.7 m -73.79 132.88 43.06 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.752 1.614 . . . . 0.0 108.901 -170.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -115.98 147.63 40.98 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 104.235 -2.505 . . . . 0.0 104.235 -173.6 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.9 t -45.4 77.65 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.966 1.712 . . . . 0.0 114.691 -164.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.12 -20.41 33.25 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 118.175 -1.347 . . . . 0.0 113.302 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -125.37 143.42 50.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.223 -1.846 . . . . 0.0 109.795 -171.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.36 1.023 0 CA-C-N 121.508 1.958 . . . . 0.0 107.337 169.346 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.742 -1.123 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 3.8 mtpt -88.05 169.2 12.16 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.111 1.323 . . . . 0.0 109.192 -177.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.22 127.54 54.84 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.35 133.57 52.96 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 169.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.99 -5.9 29.01 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-O 116.547 -2.252 . . . . 0.0 113.406 -174.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -106.12 160.49 25.99 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-N 121.317 2.558 . . . . 0.0 111.645 -169.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -56.76 102.61 0.11 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 CA-C-N 121.354 1.519 . . . . 0.0 114.741 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -126.98 152.33 47.35 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.65 -1.167 . . . . 0.0 110.574 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -118.43 131.57 56.27 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.7 28.99 0.02 OUTLIER 'General case' 0 C--N 1.358 0.976 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 -177.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.61 -44.97 9.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 119.55 1.068 . . . . 0.0 108.61 162.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.09 97.79 5.85 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.824 1.193 . . . . 0.0 108.291 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.9 p90 -118.24 121.25 39.99 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-N 119.13 0.877 . . . . 0.0 110.857 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.09 83.24 2.11 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.902 1.683 . . . . 0.0 106.789 156.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.45 160.32 14.39 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 121.49 1.95 . . . . 0.0 109.36 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 3.9 t -67.74 -50.03 59.43 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.502 -177.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -131.48 65.73 1.56 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.166 -1.397 . . . . 0.0 114.062 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.48 -155.88 26.71 Favored Glycine 0 C--N 1.36 1.913 0 N-CA-C 118.841 2.297 . . . . 0.0 118.841 167.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t -124.98 148.7 48.3 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-O 118.263 -0.875 . . . . 0.0 113.202 -157.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.8 m -87.4 121.44 29.85 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.115 0.87 . . . . 0.0 111.616 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 tmt_? -119.05 144.89 46.31 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -33.06 79.59 0.0 OUTLIER 'General case' 0 C--N 1.348 0.523 0 CA-C-N 122.154 2.252 . . . . 0.0 115.894 -162.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 111.09 -17.72 26.68 Favored Glycine 0 C--N 1.36 1.895 0 CA-C-O 117.637 -1.646 . . . . 0.0 115.048 173.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.268 85.4 tttt -123.26 146.49 47.82 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 114.916 -2.468 . . . . 0.0 109.199 -169.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.364 1.205 0 CA-C-N 122.388 2.358 . . . . 0.0 112.24 176.639 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.566 -0.731 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -165.48 1.24 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 168.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.29 126.34 44.97 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.739 2.063 . . . . 0.0 110.141 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.6 137.56 15.28 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.677 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.9 -9.61 29.66 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 116.303 -2.387 . . . . 0.0 112.072 -171.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 162.36 22.72 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-N 120.941 2.371 . . . . 0.0 110.968 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.79 126.52 17.57 Favored 'Trans proline' 0 C--N 1.365 1.415 0 N-CA-C 118.442 2.439 . . . . 0.0 118.442 -165.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -139.27 156.75 46.85 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.422 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -115.35 121.23 42.19 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.07 -2.5 0.17 Allowed 'General case' 0 C--N 1.36 1.062 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.41 -44.96 15.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 122.103 2.228 . . . . 0.0 105.744 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.18 77.92 1.6 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.175 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p90 -124.14 128.68 49.62 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 120.63 1.559 . . . . 0.0 114.034 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.94 102.65 8.93 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 162.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.95 -176.53 3.1 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 121.352 1.887 . . . . 0.0 107.477 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -75.89 0.06 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 169.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -135.63 156.01 49.54 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.379 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.49 -158.65 22.57 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-N 119.663 1.12 . . . . 0.0 113.363 165.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -126.07 139.42 53.41 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.205 -1.379 . . . . 0.0 109.1 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' SG ' ' CG ' ' A' ' 13' ' ' TYR . 7.1 m -87.54 126.23 34.8 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.277 1.399 . . . . 0.0 109.487 -177.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.6 mtm180 -118.36 153.27 34.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.372 -1.775 . . . . 0.0 107.308 -175.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.3 78.86 0.0 OUTLIER 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.722 1.264 . . . . 0.0 112.432 -172.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 115.7 -24.89 9.96 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 115.032 -3.093 . . . . 0.0 114.328 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -116.4 160.55 20.39 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 123.073 3.437 . . . . 0.0 111.152 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.361 1.094 0 CA-C-N 119.57 1.077 . . . . 0.0 111.312 167.343 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.572 0 CA-C-O 115.331 -2.271 . . . . 0.0 105.438 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.74 50.38 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 123.24 2.745 . . . . 0.0 108.108 -175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.31 137.9 56.82 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.703 -173.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.59 -7.19 33.94 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-O 116.779 -2.123 . . . . 0.0 113.293 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 166.23 11.57 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-N 120.163 1.982 . . . . 0.0 110.871 -175.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -56.08 110.15 0.53 Allowed 'Trans proline' 0 C--N 1.367 1.539 0 N-CA-C 116.893 1.843 . . . . 0.0 116.893 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.294 17.8 p -127.03 152.43 47.28 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.8 168.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -117.39 131.24 56.81 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -62.64 6.57 0.09 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 pt -92.67 -35.75 7.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 121.421 1.919 . . . . 0.0 108.922 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.71 106.55 13.18 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -110.16 113.01 25.35 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.61 72.79 1.46 Allowed 'General case' 0 C--N 1.357 0.914 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 160.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.4 m -96.27 164.73 12.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.088 1.767 . . . . 0.0 110.706 -172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -76.04 0.07 Allowed 'General case' 0 C--N 1.36 1.027 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 169.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.6 p -132.99 137.79 46.64 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 116.698 -1.62 . . . . 0.0 110.129 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.64 -159.92 24.05 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-N 120.519 1.509 . . . . 0.0 113.477 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -125.47 139.25 53.79 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-O 117.078 -1.439 . . . . 0.0 109.169 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 m -88.87 121.67 31.47 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.266 1.394 . . . . 0.0 107.596 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -119.37 146.99 44.86 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -41.22 80.94 0.0 OUTLIER 'General case' 0 C--N 1.349 0.547 0 CA-C-N 120.916 1.689 . . . . 0.0 113.934 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 117.05 -19.22 12.03 Favored Glycine 0 C--N 1.357 1.746 0 CA-C-O 116.947 -2.03 . . . . 0.0 115.895 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -116.47 138.9 51.01 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 121.612 2.706 . . . . 0.0 109.271 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.363 1.165 0 CA-C-N 121.638 2.017 . . . . 0.0 108.842 156.766 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt . . . . . 0 CA--C 1.512 -0.482 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.92 115.96 24.85 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.302 0.501 . . . . 0.0 111.591 -165.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.35 128.38 35.56 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 116.172 -1.87 . . . . 0.0 106.606 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.37 -7.4 34.59 Favored Glycine 0 C--N 1.36 1.891 0 CA-C-O 114.457 -3.413 . . . . 0.0 117.956 -160.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -118.11 160.78 37.81 Favored Pre-proline 0 C--N 1.361 1.095 0 CA-C-N 123.979 3.89 . . . . 0.0 112.321 -169.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . 0.419 ' N ' ' HG2' ' A' ' 6' ' ' LYS . 2.7 Cg_endo -38.22 118.03 0.29 Allowed 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 121.638 1.559 . . . . 0.0 115.197 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -120.01 125.93 49.57 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 126.973 2.109 . . . . 0.0 108.398 -168.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 t -134.49 105.28 6.47 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -61.92 40.59 0.01 OUTLIER 'General case' 0 C--N 1.361 1.073 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -104.07 -45.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.74 130.95 54.26 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 115.275 -2.297 . . . . 0.0 108.357 168.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 13' ' ' TYR 0.256 0.0 OUTLIER -120.6 124.42 45.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 122.447 2.385 . . . . 0.0 107.277 166.627 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -111.31 72.17 0.77 Allowed 'General case' 0 C--N 1.356 0.887 1 CA-C-O 111.676 -4.012 . . . . 0.0 112.108 147.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.39 158.99 15.81 Favored 'General case' 0 N--CA 1.48 1.072 1 CA-C-N 129.541 5.609 . . . . 0.0 107.999 -169.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -65.54 0.66 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -172.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.6 p -121.46 113.32 19.68 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 115.314 -2.279 . . . . 0.0 110.268 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.29 -150.17 20.15 Favored Glycine 0 C--N 1.362 1.974 0 N-CA-C 120.304 2.882 . . . . 0.0 120.304 158.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -121.4 125.89 48.05 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 113.281 -3.247 . . . . 0.0 111.382 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.0 t -97.69 118.79 35.01 Favored 'General case' 0 C--N 1.357 0.906 1 CA-C-N 127.116 4.507 . . . . 0.0 101.119 -161.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.428 ' N ' ' SG ' ' A' ' 8' ' ' CYS 0.283 21.5 mmt180 -120.86 129.17 53.42 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 108.467 -3.969 . . . . 0.0 107.506 -152.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -58.14 73.22 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 124.286 3.221 . . . . 0.0 114.231 -149.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.54 -22.91 18.98 Favored Glycine 0 C--N 1.367 2.271 0 CA-C-O 116.303 -2.387 . . . . 0.0 117.09 -161.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' ARG . 37.7 ttmt -118.77 141.46 48.61 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 122.065 2.933 . . . . 0.0 110.125 173.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.364 1.204 0 CA-C-N 122.562 2.437 . . . . 0.0 109.522 170.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.531 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.93 130.22 55.44 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.917 1.69 . . . . 0.0 111.302 -158.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 132.41 15.32 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-O 117.541 -1.218 . . . . 0.0 111.676 -169.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.81 -1.08 38.88 Favored Glycine 0 C--N 1.361 1.94 0 CA-C-O 117.271 -1.849 . . . . 0.0 114.35 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 162.33 20.57 Favored Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 120.615 2.207 . . . . 0.0 108.238 -169.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.12 134.06 37.96 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 121.269 1.489 . . . . 0.0 113.098 -163.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t -126.81 144.97 50.81 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.403 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 30.2 t -128.1 111.9 13.99 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.422 ' N ' ' SG ' ' A' ' 20' ' ' CYS 0.252 20.4 ttp-105 -61.59 15.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.957 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.521 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.9 mt -92.19 -44.13 14.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 121.418 1.917 . . . . 0.0 106.221 164.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.72 105.32 12.9 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.579 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 p90 -108.62 125.22 51.62 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.259 -0.877 . . . . 0.0 109.361 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.85 64.71 1.59 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 114.439 -2.695 . . . . 0.0 110.861 165.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -93.02 146.25 23.77 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 124.023 3.101 . . . . 0.0 111.273 -172.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 4.9 t -68.62 -57.71 5.32 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -127.97 106.33 9.01 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.289 -1.815 . . . . 0.0 109.23 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.2 -155.86 24.17 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 120.764 1.62 . . . . 0.0 115.678 167.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 t -121.73 149.22 43.58 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.889 0.876 . . . . 0.0 110.51 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 10' ' ' ARG . 37.2 t -83.52 120.08 25.5 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.2 mtt180 -122.45 153.97 38.4 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.388 -1.292 . . . . 0.0 110.286 -170.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.7 t -50.2 77.23 0.0 OUTLIER 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.655 1.222 . . . . 0.0 111.551 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 110.33 -23.04 21.54 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-O 116.163 -2.465 . . . . 0.0 112.941 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -120.79 147.55 45.19 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.493 2.646 . . . . 0.0 108.408 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.434 ' SG ' ' HE2' ' A' ' 2' ' ' LYS . 1.2 t . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.495 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 15.7 mmmt . . . . . 0 C--O 1.215 -0.723 0 CA-C-O 118.577 -0.725 . . . . 0.0 112.739 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.27 33.04 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.69 134.22 12.9 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.703 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.98 -7.11 35.34 Favored Glycine 0 C--N 1.357 1.723 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.522 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 164.84 14.64 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-N 120.989 2.394 . . . . 0.0 110.814 -167.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.32 101.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.372 1.815 0 N-CA-C 118.664 2.525 . . . . 0.0 118.664 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.305 14.7 p -134.89 151.81 51.21 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.951 -1.024 . . . . 0.0 113.494 169.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 p -119.19 125.05 48.27 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -64.56 13.79 0.03 OUTLIER 'General case' 0 C--N 1.359 0.994 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.9 pt -99.27 -40.36 8.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 CA-C-N 121.795 2.089 . . . . 0.0 108.376 165.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.14 86.09 2.51 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.778 1.626 . . . . 0.0 109.78 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -128.74 127.99 43.14 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.752 1.615 . . . . 0.0 114.382 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -116.14 88.99 3.0 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-O 116.84 -1.553 . . . . 0.0 107.171 166.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.1 m -102.04 170.36 8.17 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.709 2.05 . . . . 0.0 112.743 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 71.2 m -62.37 -88.17 0.01 OUTLIER 'General case' 0 C--N 1.362 1.136 0 CA-C-O 116.887 -1.53 . . . . 0.0 107.798 170.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -128.84 144.04 51.06 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 121.227 1.83 . . . . 0.0 109.082 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.55 -159.97 25.46 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 119.917 1.235 . . . . 0.0 112.539 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -128.51 136.88 51.39 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.705 -2.093 . . . . 0.0 110.264 -173.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 5.8 m -88.97 128.12 35.68 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-N 121.298 1.863 . . . . 0.0 109.849 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 8.2 ttt-85 -128.4 153.02 47.52 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 115.473 -2.204 . . . . 0.0 106.821 -167.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -46.01 78.42 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.414 1.461 . . . . 0.0 112.412 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.46 -24.87 11.73 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.936 -2.036 . . . . 0.0 114.29 178.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -117.24 158.74 23.8 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.048 2.424 . . . . 0.0 110.596 -173.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.3 t . . . . . 0 C--N 1.359 1.009 0 CA-C-N 119.452 1.024 . . . . 0.0 111.3 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.218 -0.59 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.15 126.41 48.26 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 121.087 1.767 . . . . 0.0 108.615 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.45 136.34 25.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.534 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.9 28.78 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 116.456 -2.302 . . . . 0.0 112.882 -171.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.41 162.79 19.42 Favored Pre-proline 0 C--N 1.359 1.004 0 CA-C-N 120.748 2.274 . . . . 0.0 111.21 -173.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -52.59 127.21 23.46 Favored 'Trans proline' 0 C--N 1.368 1.577 0 N-CA-C 117.605 2.117 . . . . 0.0 117.605 -169.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.8 152.0 51.89 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.618 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -127.72 112.11 14.44 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -53.3 -16.6 1.37 Allowed 'General case' 0 C--N 1.36 1.023 0 CA-C-N 120.262 1.392 . . . . 0.0 113.283 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 pt -84.38 -36.62 11.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 120.777 1.626 . . . . 0.0 106.762 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.22 76.3 1.59 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.875 -1.536 . . . . 0.0 110.962 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -127.97 128.84 45.79 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 116.223 -1.846 . . . . 0.0 113.06 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -124.51 58.12 1.23 Allowed 'General case' 0 C--N 1.361 1.106 0 CA-C-N 121.819 2.1 . . . . 0.0 111.901 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.02 163.05 14.13 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 123.099 2.681 . . . . 0.0 112.681 -166.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -68.95 0.19 Allowed 'General case' 0 C--N 1.364 1.214 0 CA-C-N 119.891 1.223 . . . . 0.0 107.716 -166.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -128.64 136.82 51.18 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 116.48 -1.724 . . . . 0.0 109.529 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.63 23.55 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-N 120.641 1.564 . . . . 0.0 114.076 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -128.88 140.91 51.47 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.232 -1.842 . . . . 0.0 110.026 -173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.66 117.1 25.2 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 121.598 1.999 . . . . 0.0 107.517 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.1 ptm180 -112.79 158.59 19.93 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -38.2 76.62 0.0 OUTLIER 'General case' 0 C--N 1.349 0.585 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 108.41 -19.3 31.82 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 115.935 -2.592 . . . . 0.0 114.768 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -121.38 142.5 49.94 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 121.848 2.824 . . . . 0.0 111.564 -171.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.365 1.258 0 CA-C-N 121.435 1.925 . . . . 0.0 111.006 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt . . . . . 0 CA--C 1.508 -0.636 0 N-CA-C 111.555 0.206 . . . . 0.0 111.555 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.7 112.94 25.88 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.42 130.91 20.49 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.64 -5.1 21.01 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 114.419 -3.434 . . . . 0.0 115.156 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 164.64 14.48 Favored Pre-proline 0 C--N 1.362 1.15 0 CA-C-N 123.923 3.861 . . . . 0.0 110.366 -175.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -57.19 105.23 0.17 Allowed 'Trans proline' 0 C--N 1.368 1.559 0 CA-C-N 121.675 1.634 . . . . 0.0 113.884 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -128.27 155.72 44.14 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.961 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 m -118.76 126.46 51.92 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -64.95 30.97 0.02 OUTLIER 'General case' 0 C--N 1.357 0.894 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mt -94.97 -44.0 13.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 159.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.56 112.71 20.93 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.532 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -109.11 122.26 46.9 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 177.358 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -131.26 51.35 2.15 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.633 1.56 . . . . 0.0 110.579 159.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 m -78.44 144.55 35.72 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 -169.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.7 t -63.17 -48.6 77.7 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 118.563 -1.255 . . . . 0.0 107.952 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.0 p -129.57 100.75 5.65 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.615 -1.66 . . . . 0.0 110.277 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.91 -158.12 27.29 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-N 120.626 1.557 . . . . 0.0 115.447 169.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -126.75 144.83 50.83 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.762 -1.59 . . . . 0.0 110.672 -168.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -82.36 125.67 31.29 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.873 1.669 . . . . 0.0 106.523 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' GLY . 29.0 tpt180 -127.43 156.04 42.72 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 115.181 -2.342 . . . . 0.0 105.631 -168.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -40.27 77.41 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 121.387 1.903 . . . . 0.0 114.456 -170.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.01 -18.36 36.81 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-O 116.832 -2.093 . . . . 0.0 113.558 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -121.4 146.31 47.02 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.742 2.271 . . . . 0.0 111.179 -167.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.359 1.005 0 CA-C-N 120.531 1.514 . . . . 0.0 110.257 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.576 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.31 44.44 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 121.734 2.061 . . . . 0.0 111.08 -154.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.87 135.93 47.49 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.1 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.02 -8.84 31.51 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 115.842 -2.643 . . . . 0.0 113.368 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 161.48 24.32 Favored Pre-proline 0 C--N 1.36 1.053 0 CA-C-N 121.688 2.744 . . . . 0.0 111.736 -172.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.83 112.93 1.78 Allowed 'Trans proline' 0 C--N 1.368 1.566 0 N-CA-C 115.963 1.486 . . . . 0.0 115.963 -171.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 25' ' ' CYS . 28.7 p -135.45 153.07 51.89 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.179 -1.391 . . . . 0.0 113.0 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.4 m -121.37 117.19 26.31 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.481 1.0 OUTLIER -60.75 16.95 0.01 OUTLIER 'General case' 0 C--N 1.362 1.138 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 -176.204 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.0 mt -90.91 -45.41 14.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 164.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.2 67.21 0.93 Allowed 'General case' 0 C--N 1.358 0.96 0 CA-C-N 119.475 1.034 . . . . 0.0 110.351 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -131.1 139.86 49.92 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.042 -1.456 . . . . 0.0 114.588 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.3 129.09 55.67 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 114.92 -2.467 . . . . 0.0 106.396 150.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.9 m -98.46 154.22 18.04 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 123.334 2.788 . . . . 0.0 105.332 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -64.41 -53.87 41.62 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 m -128.84 85.29 2.31 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.122 -1.418 . . . . 0.0 110.732 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.96 -153.74 22.9 Favored Glycine 0 C--N 1.359 1.846 0 N-CA-C 116.776 1.47 . . . . 0.0 116.776 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 t -124.61 146.34 49.12 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 116.573 -1.679 . . . . 0.0 110.36 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.87 130.44 35.07 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 121.257 1.844 . . . . 0.0 109.17 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -111.65 150.33 30.28 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -174.417 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -39.24 80.12 0.0 OUTLIER 'General case' 0 C--N 1.349 0.574 0 CA-C-N 122.949 2.613 . . . . 0.0 115.029 -164.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.16 -15.7 22.94 Favored Glycine 0 C--N 1.36 1.881 0 CA-C-O 117.15 -1.917 . . . . 0.0 115.395 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.262 3.9 ttmp? -120.31 151.73 38.81 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 115.474 -2.203 . . . . 0.0 110.448 -168.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.419 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.362 1.126 0 CA-C-N 121.82 2.1 . . . . 0.0 111.13 175.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 3.3 mmmt . . . . . 0 CA--C 1.509 -0.634 0 CA-C-O 118.666 -0.683 . . . . 0.0 109.832 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.31 122.49 47.98 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -173.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.35 134.19 34.24 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 172.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.45 -9.38 32.89 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 116.206 -2.441 . . . . 0.0 113.896 -168.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -103.31 159.52 29.04 Favored Pre-proline 0 C--N 1.358 0.964 0 CA-C-N 122.156 2.978 . . . . 0.0 111.708 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.31 112.24 0.99 Allowed 'Trans proline' 0 C--N 1.367 1.513 0 CA-C-N 121.595 1.605 . . . . 0.0 115.105 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 18.8 p -128.76 153.27 47.55 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-O 117.808 -1.092 . . . . 0.0 112.221 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.5 p -128.09 127.55 43.27 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -60.16 3.37 0.07 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.9 pt -91.38 -38.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 121.252 1.842 . . . . 0.0 107.243 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.29 68.82 1.35 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.732 1.606 . . . . 0.0 111.604 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.5 p90 -129.1 137.42 51.23 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-N 120.42 1.464 . . . . 0.0 114.634 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -118.89 132.02 56.08 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 115.587 -2.149 . . . . 0.0 107.317 150.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -101.68 168.51 9.42 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 122.637 2.471 . . . . 0.0 105.789 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 6.1 t -63.3 -56.44 16.4 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 121.289 1.858 . . . . 0.0 106.073 174.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -131.13 122.44 26.66 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 115.804 -2.046 . . . . 0.0 109.315 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.46 -158.7 25.05 Favored Glycine 0 C--N 1.358 1.783 0 CA-C-N 121.63 2.014 . . . . 0.0 116.01 166.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -127.02 146.02 50.5 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-O 117.275 -1.345 . . . . 0.0 110.14 -170.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.98 127.0 33.14 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.474 1.488 . . . . 0.0 108.379 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.5 mmm180 -115.05 154.39 28.94 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.433 -174.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.09 77.44 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 O-C-N 124.532 1.145 . . . . 0.0 113.103 -170.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 109.61 -21.98 24.93 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-O 116.587 -2.23 . . . . 0.0 113.469 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 55.2 mttp -120.55 144.41 48.08 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 121.236 2.518 . . . . 0.0 112.018 -172.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.504 -0.821 0 CA-C-N 119.421 1.01 . . . . 0.0 109.365 -175.447 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.2 ttpt . . . . . 0 C--O 1.215 -0.742 0 CA-C-O 117.588 -1.196 . . . . 0.0 108.791 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.86 127.48 54.08 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.2 1.818 . . . . 0.0 110.992 -166.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.4 134.59 5.05 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.4 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.74 -8.94 32.17 Favored Glycine 0 C--N 1.357 1.714 0 CA-C-O 116.184 -2.453 . . . . 0.0 112.457 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.03 165.06 13.38 Favored Pre-proline 0 C--N 1.36 1.063 0 CA-C-N 121.133 2.467 . . . . 0.0 110.543 -173.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -49.37 122.15 8.17 Favored 'Trans proline' 0 C--N 1.366 1.482 0 CA-C-N 121.517 1.578 . . . . 0.0 114.438 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -129.23 141.1 51.23 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.009 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 t -124.46 124.31 42.02 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 124.02 0.825 . . . . 0.0 108.781 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -61.97 22.82 0.01 OUTLIER 'General case' 0 C--N 1.357 0.918 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -101.64 -46.76 11.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 121.417 1.917 . . . . 0.0 108.103 161.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.52 115.44 24.03 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.985 -1.483 . . . . 0.0 108.013 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -110.74 118.26 35.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.734 1.152 . . . . 0.0 107.908 173.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.71 49.7 1.51 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 167.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t -96.24 149.03 22.11 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.595 1.089 . . . . 0.0 110.119 -167.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 95.4 m -65.41 -58.58 5.5 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.029 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -122.61 78.68 1.55 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.642 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.55 -156.88 24.92 Favored Glycine 0 C--N 1.357 1.726 0 N-CA-C 115.09 0.796 . . . . 0.0 115.09 166.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -124.82 152.11 44.36 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.514 -1.231 . . . . 0.0 108.522 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.7 m -73.79 132.88 43.06 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.752 1.614 . . . . 0.0 108.901 -170.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -115.98 147.63 40.98 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 104.235 -2.505 . . . . 0.0 104.235 -173.6 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.9 t -45.4 77.65 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.966 1.712 . . . . 0.0 114.691 -164.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.12 -20.41 33.25 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 118.175 -1.347 . . . . 0.0 113.302 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -125.37 143.42 50.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.223 -1.846 . . . . 0.0 109.795 -171.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.36 1.023 0 CA-C-N 121.508 1.958 . . . . 0.0 107.337 169.346 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 3.8 mtpt . . . . . 0 C--O 1.217 -0.63 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.22 127.54 54.84 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.35 133.57 52.96 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 169.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.99 -5.9 29.01 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-O 116.547 -2.252 . . . . 0.0 113.406 -174.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -106.12 160.49 25.99 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-N 121.317 2.558 . . . . 0.0 111.645 -169.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -56.76 102.61 0.11 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 CA-C-N 121.354 1.519 . . . . 0.0 114.741 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -126.98 152.33 47.35 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.65 -1.167 . . . . 0.0 110.574 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -118.43 131.57 56.27 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.7 28.99 0.02 OUTLIER 'General case' 0 C--N 1.358 0.976 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 -177.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.61 -44.97 9.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 119.55 1.068 . . . . 0.0 108.61 162.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.09 97.79 5.85 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.824 1.193 . . . . 0.0 108.291 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.9 p90 -118.24 121.25 39.99 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-N 119.13 0.877 . . . . 0.0 110.857 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.09 83.24 2.11 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.902 1.683 . . . . 0.0 106.789 156.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.45 160.32 14.39 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 121.49 1.95 . . . . 0.0 109.36 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 3.9 t -67.74 -50.03 59.43 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.502 -177.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -131.48 65.73 1.56 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.166 -1.397 . . . . 0.0 114.062 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.48 -155.88 26.71 Favored Glycine 0 C--N 1.36 1.913 0 N-CA-C 118.841 2.297 . . . . 0.0 118.841 167.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t -124.98 148.7 48.3 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-O 118.263 -0.875 . . . . 0.0 113.202 -157.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.8 m -87.4 121.44 29.85 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.115 0.87 . . . . 0.0 111.616 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 tmt_? -119.05 144.89 46.31 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -33.06 79.59 0.0 OUTLIER 'General case' 0 C--N 1.348 0.523 0 CA-C-N 122.154 2.252 . . . . 0.0 115.894 -162.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 111.09 -17.72 26.68 Favored Glycine 0 C--N 1.36 1.895 0 CA-C-O 117.637 -1.646 . . . . 0.0 115.048 173.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.268 85.4 tttt -123.26 146.49 47.82 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 114.916 -2.468 . . . . 0.0 109.199 -169.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.364 1.205 0 CA-C-N 122.388 2.358 . . . . 0.0 112.24 176.639 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.217 -0.62 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.29 126.34 44.97 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.739 2.063 . . . . 0.0 110.141 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.6 137.56 15.28 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.677 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.9 -9.61 29.66 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 116.303 -2.387 . . . . 0.0 112.072 -171.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 162.36 22.72 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-N 120.941 2.371 . . . . 0.0 110.968 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.79 126.52 17.57 Favored 'Trans proline' 0 C--N 1.365 1.415 0 N-CA-C 118.442 2.439 . . . . 0.0 118.442 -165.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -139.27 156.75 46.85 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.422 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -115.35 121.23 42.19 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.07 -2.5 0.17 Allowed 'General case' 0 C--N 1.36 1.062 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.41 -44.96 15.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 122.103 2.228 . . . . 0.0 105.744 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.18 77.92 1.6 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.175 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p90 -124.14 128.68 49.62 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 120.63 1.559 . . . . 0.0 114.034 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.94 102.65 8.93 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 162.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.95 -176.53 3.1 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 121.352 1.887 . . . . 0.0 107.477 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -75.89 0.06 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 169.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -135.63 156.01 49.54 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.379 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.49 -158.65 22.57 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-N 119.663 1.12 . . . . 0.0 113.363 165.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -126.07 139.42 53.41 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.205 -1.379 . . . . 0.0 109.1 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.446 ' SG ' ' CG ' ' A' ' 13' ' ' TYR . 7.1 m -87.54 126.23 34.8 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.277 1.399 . . . . 0.0 109.487 -177.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.6 mtm180 -118.36 153.27 34.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.372 -1.775 . . . . 0.0 107.308 -175.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.3 78.86 0.0 OUTLIER 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.722 1.264 . . . . 0.0 112.432 -172.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 115.7 -24.89 9.96 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 115.032 -3.093 . . . . 0.0 114.328 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -116.4 160.55 20.39 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 123.073 3.437 . . . . 0.0 111.152 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.361 1.094 0 CA-C-N 119.57 1.077 . . . . 0.0 111.312 167.343 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.513 -0.457 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.73 165.42 12.56 Favored 'General case' 0 C--N 1.351 0.672 0 CA-C-O 115.331 -2.271 . . . . 0.0 105.438 178.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -114.12 123.74 50.38 Favored 'General case' 0 C--N 1.355 0.817 0 CA-C-N 123.24 2.745 . . . . 0.0 108.108 -175.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -58.31 137.9 56.82 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.703 -173.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.59 -7.19 33.94 Favored Glycine 0 C--N 1.357 1.7 0 CA-C-O 116.779 -2.123 . . . . 0.0 113.293 -175.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.17 166.23 11.57 Favored Pre-proline 0 C--N 1.357 0.899 0 CA-C-N 120.163 1.982 . . . . 0.0 110.871 -175.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -56.08 110.15 0.53 Allowed 'Trans proline' 0 C--N 1.367 1.539 0 N-CA-C 116.893 1.843 . . . . 0.0 116.893 -175.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.294 17.8 p -127.03 152.43 47.28 Favored 'General case' 0 C--N 1.359 1.019 0 CA-C-O 117.715 -1.136 . . . . 0.0 110.8 168.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -117.39 131.24 56.81 Favored 'General case' 0 C--N 1.357 0.897 0 N-CA-C 108.568 -0.901 . . . . 0.0 108.568 -179.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.4 ttt180 -62.64 6.57 0.09 Allowed 'General case' 0 C--N 1.356 0.851 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 -175.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.7 pt -92.67 -35.75 7.0 Favored 'Isoleucine or valine' 0 C--N 1.355 0.834 0 CA-C-N 121.421 1.919 . . . . 0.0 108.922 172.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.71 106.55 13.18 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.475 ' CD2' ' O ' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -110.16 113.01 25.35 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -128.61 72.79 1.46 Allowed 'General case' 0 C--N 1.357 0.914 0 N-CA-C 106.173 -1.788 . . . . 0.0 106.173 160.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 93.4 m -96.27 164.73 12.54 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 121.088 1.767 . . . . 0.0 110.706 -172.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.38 -76.04 0.07 Allowed 'General case' 0 C--N 1.36 1.027 0 N-CA-C 103.988 -2.597 . . . . 0.0 103.988 169.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 68.6 p -132.99 137.79 46.64 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-O 116.698 -1.62 . . . . 0.0 110.129 177.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.64 -159.92 24.05 Favored Glycine 0 C--N 1.357 1.724 0 CA-C-N 120.519 1.509 . . . . 0.0 113.477 166.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.3 p -125.47 139.25 53.79 Favored 'General case' 0 C--N 1.356 0.889 0 CA-C-O 117.078 -1.439 . . . . 0.0 109.169 -176.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 5.4 m -88.87 121.67 31.47 Favored 'General case' 0 C--N 1.354 0.79 0 CA-C-N 120.266 1.394 . . . . 0.0 107.596 -178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.518 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -119.37 146.99 44.86 Favored 'General case' 0 C--N 1.357 0.892 0 N-CA-C 104.163 -2.532 . . . . 0.0 104.163 178.571 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -41.22 80.94 0.0 OUTLIER 'General case' 0 C--N 1.349 0.547 0 CA-C-N 120.916 1.689 . . . . 0.0 113.934 -167.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 117.05 -19.22 12.03 Favored Glycine 0 C--N 1.357 1.746 0 CA-C-O 116.947 -2.03 . . . . 0.0 115.895 177.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -116.47 138.9 51.01 Favored 'General case' 0 C--N 1.352 0.677 0 CA-C-N 121.612 2.706 . . . . 0.0 109.271 -176.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.363 1.165 0 CA-C-N 121.638 2.017 . . . . 0.0 108.842 156.766 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.7 p . . . . . 0 CA--C 1.513 -0.451 0 CA-C-O 116.653 -1.641 . . . . 0.0 106.652 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -104.38 176.25 5.22 Favored 'General case' 0 C--N 1.357 0.893 0 CA-C-N 121.26 1.845 . . . . 0.0 108.323 -177.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -119.92 115.96 24.85 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 118.302 0.501 . . . . 0.0 111.591 -165.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -63.35 128.38 35.56 Favored 'General case' 0 C--N 1.349 0.584 0 CA-C-O 116.172 -1.87 . . . . 0.0 106.606 174.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 108.37 -7.4 34.59 Favored Glycine 0 C--N 1.36 1.891 0 CA-C-O 114.457 -3.413 . . . . 0.0 117.956 -160.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 7' ' ' PRO . 0.0 OUTLIER -118.11 160.78 37.81 Favored Pre-proline 0 C--N 1.361 1.095 0 CA-C-N 123.979 3.89 . . . . 0.0 112.321 -169.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' N ' ' HG2' ' A' ' 6' ' ' LYS . 2.7 Cg_endo -38.22 118.03 0.29 Allowed 'Trans proline' 0 C--N 1.369 1.65 0 C-N-CA 121.638 1.559 . . . . 0.0 115.197 -179.222 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.428 ' SG ' ' N ' ' A' ' 21' ' ' ARG . 0.0 OUTLIER -120.01 125.93 49.57 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 126.973 2.109 . . . . 0.0 108.398 -168.437 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.5 t -134.49 105.28 6.47 Favored 'General case' 0 C--N 1.353 0.724 0 N-CA-C 105.727 -1.953 . . . . 0.0 105.727 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.6 ptt85 -61.92 40.59 0.01 OUTLIER 'General case' 0 C--N 1.361 1.073 0 N-CA-C 117.763 2.505 . . . . 0.0 117.763 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 59.0 mt -104.07 -45.94 9.75 Favored 'Isoleucine or valine' 0 C--N 1.352 0.701 0 N-CA-C 105.9 -1.889 . . . . 0.0 105.9 170.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -120.74 130.95 54.26 Favored 'General case' 0 C--N 1.356 0.885 0 CA-C-O 115.275 -2.297 . . . . 0.0 108.357 168.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.412 ' O ' ' CD1' ' A' ' 13' ' ' TYR 0.256 0.0 OUTLIER -120.6 124.42 45.24 Favored 'General case' 0 C--N 1.359 0.988 0 CA-C-N 122.447 2.385 . . . . 0.0 107.277 166.627 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -111.31 72.17 0.77 Allowed 'General case' 0 C--N 1.356 0.887 1 CA-C-O 111.676 -4.012 . . . . 0.0 112.108 147.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 81.1 m -102.39 158.99 15.81 Favored 'General case' 0 N--CA 1.48 1.072 1 CA-C-N 129.541 5.609 . . . . 0.0 107.999 -169.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.82 -65.54 0.66 Allowed 'General case' 0 C--N 1.357 0.927 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 -172.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 75.6 p -121.46 113.32 19.68 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 115.314 -2.279 . . . . 0.0 110.268 175.087 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 135.29 -150.17 20.15 Favored Glycine 0 C--N 1.362 1.974 0 N-CA-C 120.304 2.882 . . . . 0.0 120.304 158.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m -121.4 125.89 48.05 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 113.281 -3.247 . . . . 0.0 111.382 -160.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.0 t -97.69 118.79 35.01 Favored 'General case' 0 C--N 1.357 0.906 1 CA-C-N 127.116 4.507 . . . . 0.0 101.119 -161.361 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.428 ' N ' ' SG ' ' A' ' 8' ' ' CYS 0.283 21.5 mmt180 -120.86 129.17 53.42 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 108.467 -3.969 . . . . 0.0 107.506 -152.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 26.1 t -58.14 73.22 0.01 OUTLIER 'General case' 0 C--O 1.22 -0.464 0 CA-C-N 124.286 3.221 . . . . 0.0 114.231 -149.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 111.54 -22.91 18.98 Favored Glycine 0 C--N 1.367 2.271 0 CA-C-O 116.303 -2.387 . . . . 0.0 117.09 -161.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 21' ' ' ARG . 37.7 ttmt -118.77 141.46 48.61 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 122.065 2.933 . . . . 0.0 110.125 173.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.364 1.204 0 CA-C-N 122.562 2.437 . . . . 0.0 109.522 170.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.7 p . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 118.031 -0.985 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 0.0 OUTLIER -94.19 139.45 31.0 Favored 'General case' 0 C--N 1.352 0.705 0 N-CA-C 104.062 -2.57 . . . . 0.0 104.062 -177.493 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.93 130.22 55.44 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.917 1.69 . . . . 0.0 111.302 -158.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -48.0 132.41 15.32 Favored 'General case' 0 C--N 1.357 0.905 0 CA-C-O 117.541 -1.218 . . . . 0.0 111.676 -169.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 105.81 -1.08 38.88 Favored Glycine 0 C--N 1.361 1.94 0 CA-C-O 117.271 -1.849 . . . . 0.0 114.35 -175.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.36 162.33 20.57 Favored Pre-proline 0 C--N 1.357 0.906 0 CA-C-N 120.615 2.207 . . . . 0.0 108.238 -169.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.12 134.06 37.96 Favored 'Trans proline' 0 C--N 1.362 1.238 0 CA-C-N 121.269 1.489 . . . . 0.0 113.098 -163.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 t -126.81 144.97 50.81 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 -177.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.403 ' C ' ' SG ' ' A' ' 20' ' ' CYS . 30.2 t -128.1 111.9 13.99 Favored 'General case' 0 C--N 1.354 0.8 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 174.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.422 ' N ' ' SG ' ' A' ' 20' ' ' CYS 0.252 20.4 ttp-105 -61.59 15.0 0.01 OUTLIER 'General case' 0 C--N 1.358 0.957 0 N-CA-C 116.289 1.959 . . . . 0.0 116.289 -179.521 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 45.9 mt -92.19 -44.13 14.07 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 121.418 1.917 . . . . 0.0 106.221 164.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -114.72 105.32 12.9 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.579 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 3.7 p90 -108.62 125.22 51.62 Favored 'General case' 0 C--N 1.357 0.898 0 CA-C-O 118.259 -0.877 . . . . 0.0 109.361 -175.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -134.85 64.71 1.59 Allowed 'General case' 0 C--N 1.356 0.849 0 CA-C-O 114.439 -2.695 . . . . 0.0 110.861 165.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.8 m -93.02 146.25 23.77 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 124.023 3.101 . . . . 0.0 111.273 -172.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 4.9 t -68.62 -57.71 5.32 Favored 'General case' 0 C--N 1.363 1.167 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 -179.198 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 90.8 m -127.97 106.33 9.01 Favored 'General case' 0 C--N 1.355 0.822 0 CA-C-O 116.289 -1.815 . . . . 0.0 109.23 173.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.2 -155.86 24.17 Favored Glycine 0 C--N 1.358 1.778 0 CA-C-N 120.764 1.62 . . . . 0.0 115.678 167.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.1 t -121.73 149.22 43.58 Favored 'General case' 0 C--N 1.357 0.904 0 C-N-CA 123.889 0.876 . . . . 0.0 110.51 -168.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 10' ' ' ARG . 37.2 t -83.52 120.08 25.5 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 106.767 -1.568 . . . . 0.0 106.767 -174.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.508 ' O ' ' N ' ' A' ' 23' ' ' GLY . 12.2 mtt180 -122.45 153.97 38.4 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 117.388 -1.292 . . . . 0.0 110.286 -170.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.7 t -50.2 77.23 0.0 OUTLIER 'General case' 0 C--N 1.357 0.904 0 O-C-N 124.655 1.222 . . . . 0.0 111.551 -178.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.508 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 110.33 -23.04 21.54 Favored Glycine 0 C--N 1.353 1.494 0 CA-C-O 116.163 -2.465 . . . . 0.0 112.941 179.228 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -120.79 147.55 45.19 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-N 121.493 2.646 . . . . 0.0 108.408 -173.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.434 ' SG ' ' HE2' ' A' ' 2' ' ' LYS . 1.2 t . . . . . 0 CA--C 1.506 -0.722 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 16.5 p . . . . . 0 C--O 1.221 -0.401 0 CA-C-O 117.636 -1.173 . . . . 0.0 109.74 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.504 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 15.7 mmmt -90.2 171.72 9.3 Favored 'General case' 0 C--N 1.357 0.932 0 CA-C-N 120.627 1.558 . . . . 0.0 112.739 -169.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.67 117.27 33.04 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 104.7 -2.333 . . . . 0.0 104.7 -174.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -47.69 134.22 12.9 Favored 'General case' 0 C--N 1.348 0.533 0 CA-C-O 118.862 -0.59 . . . . 0.0 111.703 -172.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 107.98 -7.11 35.34 Favored Glycine 0 C--N 1.357 1.723 0 CA-C-O 116.713 -2.159 . . . . 0.0 112.522 -174.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.48 164.84 14.64 Favored Pre-proline 0 C--N 1.36 1.037 0 CA-C-N 120.989 2.394 . . . . 0.0 110.814 -167.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -43.32 101.81 0.04 OUTLIER 'Trans proline' 0 C--N 1.372 1.815 0 N-CA-C 118.664 2.525 . . . . 0.0 118.664 -177.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . 0.305 14.7 p -134.89 151.81 51.21 Favored 'General case' 0 C--N 1.357 0.892 0 CA-C-O 117.951 -1.024 . . . . 0.0 113.494 169.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 41.8 p -119.19 125.05 48.27 Favored 'General case' 0 C--N 1.356 0.852 0 N-CA-C 106.065 -1.828 . . . . 0.0 106.065 178.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 ttm-85 -64.56 13.79 0.03 OUTLIER 'General case' 0 C--N 1.359 0.994 0 N-CA-C 116.468 2.025 . . . . 0.0 116.468 -174.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 16.9 pt -99.27 -40.36 8.72 Favored 'Isoleucine or valine' 0 C--N 1.353 0.761 0 CA-C-N 121.795 2.089 . . . . 0.0 108.376 165.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.14 86.09 2.51 Favored 'General case' 0 C--N 1.357 0.896 0 CA-C-N 120.778 1.626 . . . . 0.0 109.78 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 5.6 p90 -128.74 127.99 43.14 Favored 'General case' 0 C--N 1.361 1.1 0 CA-C-N 120.752 1.615 . . . . 0.0 114.382 177.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.7 p-10 -116.14 88.99 3.0 Favored 'General case' 0 C--N 1.36 1.041 0 CA-C-O 116.84 -1.553 . . . . 0.0 107.171 166.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 87.1 m -102.04 170.36 8.17 Favored 'General case' 0 C--N 1.359 0.998 0 CA-C-N 121.709 2.05 . . . . 0.0 112.743 -175.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 71.2 m -62.37 -88.17 0.01 OUTLIER 'General case' 0 C--N 1.362 1.136 0 CA-C-O 116.887 -1.53 . . . . 0.0 107.798 170.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 20.3 m -128.84 144.04 51.06 Favored 'General case' 0 C--N 1.357 0.894 0 CA-C-N 121.227 1.83 . . . . 0.0 109.082 176.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.55 -159.97 25.46 Favored Glycine 0 C--N 1.357 1.728 0 CA-C-N 119.917 1.235 . . . . 0.0 112.539 173.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 77.3 p -128.51 136.88 51.39 Favored 'General case' 0 C--N 1.355 0.819 0 CA-C-O 115.705 -2.093 . . . . 0.0 110.264 -173.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 25' ' ' CYS . 5.8 m -88.97 128.12 35.68 Favored 'General case' 0 C--N 1.36 1.043 0 CA-C-N 121.298 1.863 . . . . 0.0 109.849 -177.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 8.2 ttt-85 -128.4 153.02 47.52 Favored 'General case' 0 C--N 1.356 0.858 0 CA-C-O 115.473 -2.204 . . . . 0.0 106.821 -167.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -46.01 78.42 0.0 OUTLIER 'General case' 0 C--N 1.352 0.694 0 CA-C-N 120.414 1.461 . . . . 0.0 112.412 -174.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.46 -24.87 11.73 Favored Glycine 0 C--N 1.356 1.685 0 CA-C-O 116.936 -2.036 . . . . 0.0 114.29 178.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -117.24 158.74 23.8 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.048 2.424 . . . . 0.0 110.596 -173.297 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.46 ' SG ' ' SG ' ' A' ' 20' ' ' CYS . 4.3 t . . . . . 0 C--N 1.359 1.009 0 CA-C-N 119.452 1.024 . . . . 0.0 111.3 169.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 20.2 p . . . . . 0 C--O 1.222 -0.38 0 CA-C-O 117.676 -1.154 . . . . 0.0 108.335 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.79 158.75 15.73 Favored 'General case' 0 C--N 1.352 0.709 0 N-CA-C 104.186 -2.524 . . . . 0.0 104.186 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -122.15 126.41 48.26 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-N 121.087 1.767 . . . . 0.0 108.615 -174.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -51.45 136.34 25.92 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.92 -1.038 . . . . 0.0 109.534 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 111.31 -8.9 28.78 Favored Glycine 0 C--N 1.355 1.612 0 CA-C-O 116.456 -2.302 . . . . 0.0 112.882 -171.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.41 162.79 19.42 Favored Pre-proline 0 C--N 1.359 1.004 0 CA-C-N 120.748 2.274 . . . . 0.0 111.21 -173.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -52.59 127.21 23.46 Favored 'Trans proline' 0 C--N 1.368 1.577 0 N-CA-C 117.605 2.117 . . . . 0.0 117.605 -169.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 20.0 p -132.8 152.0 51.89 Favored 'General case' 0 C--N 1.359 0.991 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.618 -177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 56.2 m -127.72 112.11 14.44 Favored 'General case' 0 C--N 1.353 0.752 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 173.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 28.1 ttm105 -53.3 -16.6 1.37 Allowed 'General case' 0 C--N 1.36 1.023 0 CA-C-N 120.262 1.392 . . . . 0.0 113.283 -174.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.3 pt -84.38 -36.62 11.98 Favored 'Isoleucine or valine' 0 C--N 1.353 0.733 0 CA-C-N 120.777 1.626 . . . . 0.0 106.762 177.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -126.22 76.3 1.59 Allowed 'General case' 0 C--N 1.355 0.829 0 CA-C-O 116.875 -1.536 . . . . 0.0 110.962 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -127.97 128.84 45.79 Favored 'General case' 0 C--N 1.362 1.128 0 CA-C-O 116.223 -1.846 . . . . 0.0 113.06 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -124.51 58.12 1.23 Allowed 'General case' 0 C--N 1.361 1.106 0 CA-C-N 121.819 2.1 . . . . 0.0 111.901 170.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.8 p -92.02 163.05 14.13 Favored 'General case' 0 C--N 1.357 0.934 0 CA-C-N 123.099 2.681 . . . . 0.0 112.681 -166.297 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -57.83 -68.95 0.19 Allowed 'General case' 0 C--N 1.364 1.214 0 CA-C-N 119.891 1.223 . . . . 0.0 107.716 -166.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 3.3 t -128.64 136.82 51.18 Favored 'General case' 0 C--N 1.356 0.851 0 CA-C-O 116.48 -1.724 . . . . 0.0 109.529 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.82 -159.63 23.55 Favored Glycine 0 C--N 1.357 1.698 0 CA-C-N 120.641 1.564 . . . . 0.0 114.076 167.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 41.8 m -128.88 140.91 51.47 Favored 'General case' 0 C--N 1.357 0.903 0 CA-C-O 116.232 -1.842 . . . . 0.0 110.026 -173.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 50.9 t -86.66 117.1 25.2 Favored 'General case' 0 C--N 1.355 0.839 0 CA-C-N 121.598 1.999 . . . . 0.0 107.517 179.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.556 ' O ' ' N ' ' A' ' 23' ' ' GLY . 7.1 ptm180 -112.79 158.59 19.93 Favored 'General case' 0 C--N 1.357 0.914 0 N-CA-C 105.478 -2.045 . . . . 0.0 105.478 177.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.0 t -38.2 76.62 0.0 OUTLIER 'General case' 0 C--N 1.349 0.585 0 N-CA-C 114.364 1.246 . . . . 0.0 114.364 -168.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.556 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 108.41 -19.3 31.82 Favored Glycine 0 C--N 1.356 1.683 0 CA-C-O 115.935 -2.592 . . . . 0.0 114.768 175.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.7 ttmp? -121.38 142.5 49.94 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-N 121.848 2.824 . . . . 0.0 111.564 -171.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.365 1.258 0 CA-C-N 121.435 1.925 . . . . 0.0 111.006 -178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 22.1 p . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.244 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -90.75 161.31 15.37 Favored 'General case' 0 C--N 1.354 0.777 0 CA-C-N 120.125 1.329 . . . . 0.0 111.555 -175.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.7 112.94 25.88 Favored 'General case' 0 C--N 1.352 0.688 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.42 130.91 20.49 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 173.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 115.64 -5.1 21.01 Favored Glycine 0 C--N 1.355 1.621 0 CA-C-O 114.419 -3.434 . . . . 0.0 115.156 -168.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.41 164.64 14.48 Favored Pre-proline 0 C--N 1.362 1.15 0 CA-C-N 123.923 3.861 . . . . 0.0 110.366 -175.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -57.19 105.23 0.17 Allowed 'Trans proline' 0 C--N 1.368 1.559 0 CA-C-N 121.675 1.634 . . . . 0.0 113.884 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.7 p -128.27 155.72 44.14 Favored 'General case' 0 C--N 1.358 0.969 0 CA-C-O 118.025 -0.988 . . . . 0.0 111.961 176.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.9 m -118.76 126.46 51.92 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 -177.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.4 ptt85 -64.95 30.97 0.02 OUTLIER 'General case' 0 C--N 1.357 0.894 0 N-CA-C 118.103 2.631 . . . . 0.0 118.103 176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 43.2 mt -94.97 -44.0 13.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.759 0 N-CA-C 105.922 -1.881 . . . . 0.0 105.922 159.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -117.56 112.71 20.93 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.532 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -109.11 122.26 46.9 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 177.358 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -131.26 51.35 2.15 Favored 'General case' 0 C--N 1.358 0.97 0 CA-C-N 120.633 1.56 . . . . 0.0 110.579 159.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 24.9 m -78.44 144.55 35.72 Favored 'General case' 0 C--N 1.354 0.778 0 N-CA-C 104.842 -2.281 . . . . 0.0 104.842 -169.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 6.7 t -63.17 -48.6 77.7 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 118.563 -1.255 . . . . 0.0 107.952 -172.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 82.0 p -129.57 100.75 5.65 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-O 116.615 -1.66 . . . . 0.0 110.277 170.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 143.91 -158.12 27.29 Favored Glycine 0 C--N 1.36 1.863 0 CA-C-N 120.626 1.557 . . . . 0.0 115.447 169.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 65.9 p -126.75 144.83 50.83 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-O 116.762 -1.59 . . . . 0.0 110.672 -168.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 2.1 m -82.36 125.67 31.29 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 120.873 1.669 . . . . 0.0 106.523 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.532 ' O ' ' N ' ' A' ' 23' ' ' GLY . 29.0 tpt180 -127.43 156.04 42.72 Favored 'General case' 0 C--N 1.354 0.797 0 CA-C-O 115.181 -2.342 . . . . 0.0 105.631 -168.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.4 t -40.27 77.41 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 121.387 1.903 . . . . 0.0 114.456 -170.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.01 -18.36 36.81 Favored Glycine 0 C--N 1.356 1.692 0 CA-C-O 116.832 -2.093 . . . . 0.0 113.558 177.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -121.4 146.31 47.02 Favored 'General case' 0 C--N 1.352 0.689 0 CA-C-N 120.742 2.271 . . . . 0.0 111.179 -167.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.359 1.005 0 CA-C-N 120.531 1.514 . . . . 0.0 110.257 178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 28.1 p . . . . . 0 C--O 1.221 -0.419 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -94.42 115.09 27.22 Favored 'General case' 0 C--N 1.354 0.802 0 N-CA-C 106.228 -1.767 . . . . 0.0 106.228 -171.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -97.82 131.31 44.44 Favored 'General case' 0 C--N 1.355 0.804 0 CA-C-N 121.734 2.061 . . . . 0.0 111.08 -154.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -54.87 135.93 47.49 Favored 'General case' 0 C--N 1.356 0.853 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.1 -174.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.02 -8.84 31.51 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 115.842 -2.643 . . . . 0.0 113.368 -175.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.23 161.48 24.32 Favored Pre-proline 0 C--N 1.36 1.053 0 CA-C-N 121.688 2.744 . . . . 0.0 111.736 -172.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -62.83 112.93 1.78 Allowed 'Trans proline' 0 C--N 1.368 1.566 0 N-CA-C 115.963 1.486 . . . . 0.0 115.963 -171.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 25' ' ' CYS . 28.7 p -135.45 153.07 51.89 Favored 'General case' 0 C--N 1.358 0.952 0 CA-C-O 117.179 -1.391 . . . . 0.0 113.0 177.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 72.4 m -121.37 117.19 26.31 Favored 'General case' 0 C--N 1.357 0.92 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . 0.481 1.0 OUTLIER -60.75 16.95 0.01 OUTLIER 'General case' 0 C--N 1.362 1.138 0 N-CA-C 117.942 2.571 . . . . 0.0 117.942 -176.204 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.0 mt -90.91 -45.41 14.72 Favored 'Isoleucine or valine' 0 C--N 1.356 0.865 0 N-CA-C 105.675 -1.972 . . . . 0.0 105.675 164.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -122.2 67.21 0.93 Allowed 'General case' 0 C--N 1.358 0.96 0 CA-C-N 119.475 1.034 . . . . 0.0 110.351 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -131.1 139.86 49.92 Favored 'General case' 0 C--N 1.357 0.918 0 CA-C-O 117.042 -1.456 . . . . 0.0 114.588 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -117.3 129.09 55.67 Favored 'General case' 0 C--N 1.356 0.855 0 CA-C-O 114.92 -2.467 . . . . 0.0 106.396 150.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 99.9 m -98.46 154.22 18.04 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 123.334 2.788 . . . . 0.0 105.332 173.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 9.2 t -64.41 -53.87 41.62 Favored 'General case' 0 C--N 1.351 0.664 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 34.1 m -128.84 85.29 2.31 Favored 'General case' 0 C--N 1.357 0.895 0 CA-C-O 117.122 -1.418 . . . . 0.0 110.732 178.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.96 -153.74 22.9 Favored Glycine 0 C--N 1.359 1.846 0 N-CA-C 116.776 1.47 . . . . 0.0 116.776 167.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.2 t -124.61 146.34 49.12 Favored 'General case' 0 C--N 1.358 0.973 0 CA-C-O 116.573 -1.679 . . . . 0.0 110.36 -170.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 92.3 m -81.87 130.44 35.07 Favored 'General case' 0 C--N 1.358 0.959 0 CA-C-N 121.257 1.844 . . . . 0.0 109.17 -176.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.522 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -111.65 150.33 30.28 Favored 'General case' 0 C--N 1.355 0.809 0 N-CA-C 103.504 -2.776 . . . . 0.0 103.504 -174.417 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 31.2 t -39.24 80.12 0.0 OUTLIER 'General case' 0 C--N 1.349 0.574 0 CA-C-N 122.949 2.613 . . . . 0.0 115.029 -164.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 113.16 -15.7 22.94 Favored Glycine 0 C--N 1.36 1.881 0 CA-C-O 117.15 -1.917 . . . . 0.0 115.395 177.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.262 3.9 ttmp? -120.31 151.73 38.81 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-O 115.474 -2.203 . . . . 0.0 110.448 -168.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.419 ' HA ' ' SG ' ' A' ' 8' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.362 1.126 0 CA-C-N 121.82 2.1 . . . . 0.0 111.13 175.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.0 p . . . . . 0 C--O 1.221 -0.422 0 CA-C-O 117.828 -1.082 . . . . 0.0 108.981 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 3.3 mmmt -87.43 152.6 22.1 Favored 'General case' 0 C--N 1.352 0.695 0 CA-C-N 120.236 1.38 . . . . 0.0 109.832 -175.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.31 122.49 47.98 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 107.869 -1.16 . . . . 0.0 107.869 -173.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -52.35 134.19 34.24 Favored 'General case' 0 C--N 1.35 0.594 0 N-CA-C 107.598 -1.26 . . . . 0.0 107.598 172.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.45 -9.38 32.89 Favored Glycine 0 C--N 1.356 1.646 0 CA-C-O 116.206 -2.441 . . . . 0.0 113.896 -168.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -103.31 159.52 29.04 Favored Pre-proline 0 C--N 1.358 0.964 0 CA-C-N 122.156 2.978 . . . . 0.0 111.708 -171.085 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -55.31 112.24 0.99 Allowed 'Trans proline' 0 C--N 1.367 1.513 0 CA-C-N 121.595 1.605 . . . . 0.0 115.105 -173.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.423 ' SG ' ' O ' ' A' ' 24' ' ' LYS . 18.8 p -128.76 153.27 47.55 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-O 117.808 -1.092 . . . . 0.0 112.221 178.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 90.5 p -128.09 127.55 43.27 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 168.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -60.16 3.37 0.07 Allowed 'General case' 0 C--N 1.359 1.001 0 N-CA-C 116.115 1.894 . . . . 0.0 116.115 -176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 26.9 pt -91.38 -38.27 10.29 Favored 'Isoleucine or valine' 0 C--N 1.353 0.726 0 CA-C-N 121.252 1.842 . . . . 0.0 107.243 172.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -128.29 68.82 1.35 Allowed 'General case' 0 C--N 1.356 0.871 0 CA-C-N 120.732 1.606 . . . . 0.0 111.604 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 1.5 p90 -129.1 137.42 51.23 Favored 'General case' 0 C--N 1.36 1.032 0 CA-C-N 120.42 1.464 . . . . 0.0 114.634 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -118.89 132.02 56.08 Favored 'General case' 0 C--N 1.356 0.861 0 CA-C-O 115.587 -2.149 . . . . 0.0 107.317 150.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.6 m -101.68 168.51 9.42 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 122.637 2.471 . . . . 0.0 105.789 172.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 6.1 t -63.3 -56.44 16.4 Favored 'General case' 0 C--N 1.356 0.848 0 CA-C-N 121.289 1.858 . . . . 0.0 106.073 174.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 33.9 m -131.13 122.44 26.66 Favored 'General case' 0 C--N 1.355 0.828 0 CA-C-O 115.804 -2.046 . . . . 0.0 109.315 169.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 138.46 -158.7 25.05 Favored Glycine 0 C--N 1.358 1.783 0 CA-C-N 121.63 2.014 . . . . 0.0 116.01 166.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.0 m -127.02 146.02 50.5 Favored 'General case' 0 C--N 1.358 0.96 0 CA-C-O 117.275 -1.345 . . . . 0.0 110.14 -170.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 40.7 t -82.98 127.0 33.14 Favored 'General case' 0 C--N 1.354 0.786 0 CA-C-N 120.474 1.488 . . . . 0.0 108.379 -176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.544 ' O ' ' N ' ' A' ' 23' ' ' GLY . 20.5 mmm180 -115.05 154.39 28.94 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 116.391 -1.766 . . . . 0.0 106.433 -174.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.09 77.44 0.0 OUTLIER 'General case' 0 C--N 1.354 0.787 0 O-C-N 124.532 1.145 . . . . 0.0 113.103 -170.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 109.61 -21.98 24.93 Favored Glycine 0 C--N 1.355 1.604 0 CA-C-O 116.587 -2.23 . . . . 0.0 113.469 178.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.423 ' O ' ' SG ' ' A' ' 8' ' ' CYS . 55.2 mttp -120.55 144.41 48.08 Favored 'General case' 0 C--N 1.356 0.857 0 CA-C-N 121.236 2.518 . . . . 0.0 112.018 -172.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.4 t . . . . . 0 CA--C 1.504 -0.821 0 CA-C-N 119.421 1.01 . . . . 0.0 109.365 -175.447 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 24.5 p . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.47 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 18.2 ttpt -101.12 162.8 12.63 Favored 'General case' 0 C--N 1.354 0.785 0 CA-C-O 117.588 -1.196 . . . . 0.0 108.791 -175.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.86 127.48 54.08 Favored 'General case' 0 C--N 1.354 0.768 0 CA-C-N 121.2 1.818 . . . . 0.0 110.992 -166.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -44.4 134.59 5.05 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-O 118.625 -0.702 . . . . 0.0 111.4 176.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 109.74 -8.94 32.17 Favored Glycine 0 C--N 1.357 1.714 0 CA-C-O 116.184 -2.453 . . . . 0.0 112.457 -172.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.03 165.06 13.38 Favored Pre-proline 0 C--N 1.36 1.063 0 CA-C-N 121.133 2.467 . . . . 0.0 110.543 -173.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_exo -49.37 122.15 8.17 Favored 'Trans proline' 0 C--N 1.366 1.482 0 CA-C-N 121.517 1.578 . . . . 0.0 114.438 -177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -129.23 141.1 51.23 Favored 'General case' 0 C--N 1.356 0.89 0 CA-C-O 117.497 -1.24 . . . . 0.0 110.009 -179.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.5 t -124.46 124.31 42.02 Favored 'General case' 0 C--N 1.349 0.581 0 O-C-N 124.02 0.825 . . . . 0.0 108.781 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.7 tpt180 -61.97 22.82 0.01 OUTLIER 'General case' 0 C--N 1.357 0.918 0 N-CA-C 116.118 1.895 . . . . 0.0 116.118 175.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 24.8 mt -101.64 -46.76 11.36 Favored 'Isoleucine or valine' 0 C--N 1.356 0.849 0 CA-C-N 121.417 1.917 . . . . 0.0 108.103 161.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.52 115.44 24.03 Favored 'General case' 0 C--N 1.354 0.787 0 CA-C-O 116.985 -1.483 . . . . 0.0 108.013 -178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 13' ' ' TYR . 0.1 OUTLIER -110.74 118.26 35.67 Favored 'General case' 0 C--N 1.356 0.877 0 CA-C-N 119.734 1.152 . . . . 0.0 107.908 173.899 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -121.71 49.7 1.51 Allowed 'General case' 0 C--N 1.358 0.955 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 167.114 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 28.9 t -96.24 149.03 22.11 Favored 'General case' 0 C--N 1.353 0.727 0 CA-C-N 119.595 1.089 . . . . 0.0 110.119 -167.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.47 ' SG ' ' O ' ' A' ' 2' ' ' LYS . 95.4 m -65.41 -58.58 5.5 Favored 'General case' 0 C--N 1.354 0.765 0 CA-C-O 117.95 -1.024 . . . . 0.0 109.029 -176.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.5 m -122.61 78.68 1.55 Allowed 'General case' 0 C--N 1.355 0.846 0 CA-C-O 118.423 -0.798 . . . . 0.0 110.642 -174.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 139.55 -156.88 24.92 Favored Glycine 0 C--N 1.357 1.726 0 N-CA-C 115.09 0.796 . . . . 0.0 115.09 166.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 82.4 p -124.82 152.11 44.36 Favored 'General case' 0 C--N 1.357 0.902 0 CA-C-O 117.514 -1.231 . . . . 0.0 108.522 -172.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 69.7 m -73.79 132.88 43.06 Favored 'General case' 0 C--N 1.353 0.748 0 CA-C-N 120.752 1.614 . . . . 0.0 108.901 -170.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 23' ' ' GLY . 0.0 OUTLIER -115.98 147.63 40.98 Favored 'General case' 0 C--N 1.351 0.669 0 N-CA-C 104.235 -2.505 . . . . 0.0 104.235 -173.6 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.9 t -45.4 77.65 0.0 OUTLIER 'General case' 0 C--N 1.351 0.652 0 CA-C-N 120.966 1.712 . . . . 0.0 114.691 -164.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 107.12 -20.41 33.25 Favored Glycine 0 C--N 1.357 1.704 0 CA-C-O 118.175 -1.347 . . . . 0.0 113.302 179.409 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -125.37 143.42 50.99 Favored 'General case' 0 C--N 1.352 0.69 0 CA-C-O 116.223 -1.846 . . . . 0.0 109.795 -171.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.36 1.023 0 CA-C-N 121.508 1.958 . . . . 0.0 107.337 169.346 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 29.5 p . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.742 -1.123 . . . . 0.0 109.264 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' CYS . 3.8 mtpt -88.05 169.2 12.16 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-N 120.111 1.323 . . . . 0.0 109.192 -177.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -116.22 127.54 54.84 Favored 'General case' 0 C--N 1.356 0.85 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 -173.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -56.35 133.57 52.96 Favored 'General case' 0 C--N 1.349 0.579 0 N-CA-C 107.354 -1.35 . . . . 0.0 107.354 169.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.99 -5.9 29.01 Favored Glycine 0 C--N 1.356 1.65 0 CA-C-O 116.547 -2.252 . . . . 0.0 113.406 -174.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 mmpt? -106.12 160.49 25.99 Favored Pre-proline 0 C--N 1.356 0.88 0 CA-C-N 121.317 2.558 . . . . 0.0 111.645 -169.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -56.76 102.61 0.11 Allowed 'Trans proline' 0 C--N 1.368 1.567 0 CA-C-N 121.354 1.519 . . . . 0.0 114.741 -177.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -126.98 152.33 47.35 Favored 'General case' 0 C--N 1.358 0.949 0 CA-C-O 117.65 -1.167 . . . . 0.0 110.574 173.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.4 p -118.43 131.57 56.27 Favored 'General case' 0 C--N 1.353 0.747 0 N-CA-C 107.494 -1.299 . . . . 0.0 107.494 -178.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.7 28.99 0.02 OUTLIER 'General case' 0 C--N 1.358 0.976 0 N-CA-C 118.204 2.668 . . . . 0.0 118.204 -177.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.61 -44.97 9.02 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 119.55 1.068 . . . . 0.0 108.61 162.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -119.09 97.79 5.85 Favored 'General case' 0 C--N 1.356 0.871 0 CA-C-N 119.824 1.193 . . . . 0.0 108.291 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 13' ' ' TYR . 19.9 p90 -118.24 121.25 39.99 Favored 'General case' 0 C--N 1.359 0.992 0 CA-C-N 119.13 0.877 . . . . 0.0 110.857 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.09 83.24 2.11 Favored 'General case' 0 C--N 1.358 0.972 0 CA-C-N 120.902 1.683 . . . . 0.0 106.789 156.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 83.6 m -97.45 160.32 14.39 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-N 121.49 1.95 . . . . 0.0 109.36 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 2' ' ' LYS . 3.9 t -67.74 -50.03 59.43 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 118.489 -1.284 . . . . 0.0 109.502 -177.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.9 t -131.48 65.73 1.56 Allowed 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.166 -1.397 . . . . 0.0 114.062 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 147.48 -155.88 26.71 Favored Glycine 0 C--N 1.36 1.913 0 N-CA-C 118.841 2.297 . . . . 0.0 118.841 167.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.5 t -124.98 148.7 48.3 Favored 'General case' 0 C--N 1.361 1.088 0 CA-C-O 118.263 -0.875 . . . . 0.0 113.202 -157.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 75.8 m -87.4 121.44 29.85 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 119.115 0.87 . . . . 0.0 111.616 -174.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 23' ' ' GLY . 3.9 tmt_? -119.05 144.89 46.31 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 103.464 -2.791 . . . . 0.0 103.464 -178.078 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.3 t -33.06 79.59 0.0 OUTLIER 'General case' 0 C--N 1.348 0.523 0 CA-C-N 122.154 2.252 . . . . 0.0 115.894 -162.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 111.09 -17.72 26.68 Favored Glycine 0 C--N 1.36 1.895 0 CA-C-O 117.637 -1.646 . . . . 0.0 115.048 173.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . 0.268 85.4 tttt -123.26 146.49 47.82 Favored 'General case' 0 C--N 1.348 0.535 0 CA-C-O 114.916 -2.468 . . . . 0.0 109.199 -169.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.364 1.205 0 CA-C-N 122.388 2.358 . . . . 0.0 112.24 176.639 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' CYS . . . . . . . . . . . . . 5.2 t . . . . . 0 C--O 1.22 -0.448 0 CA-C-O 118.566 -0.731 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.94 -165.48 1.24 Allowed 'General case' 0 C--N 1.353 0.718 0 N-CA-C 105.479 -2.045 . . . . 0.0 105.479 168.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -125.29 126.34 44.97 Favored 'General case' 0 C--N 1.354 0.771 0 CA-C-N 121.739 2.063 . . . . 0.0 110.141 173.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -49.6 137.56 15.28 Favored 'General case' 0 C--N 1.355 0.84 0 CA-C-O 118.191 -0.909 . . . . 0.0 110.677 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 110.9 -9.61 29.66 Favored Glycine 0 C--N 1.354 1.581 0 CA-C-O 116.303 -2.387 . . . . 0.0 112.072 -171.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.45 162.36 22.72 Favored Pre-proline 0 C--N 1.36 1.023 0 CA-C-N 120.941 2.371 . . . . 0.0 110.968 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -63.79 126.52 17.57 Favored 'Trans proline' 0 C--N 1.365 1.415 0 N-CA-C 118.442 2.439 . . . . 0.0 118.442 -165.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.8 p -139.27 156.75 46.85 Favored 'General case' 0 C--N 1.361 1.099 0 CA-C-O 117.313 -1.327 . . . . 0.0 114.422 177.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 t -115.35 121.23 42.19 Favored 'General case' 0 C--N 1.358 0.972 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -58.07 -2.5 0.17 Allowed 'General case' 0 C--N 1.36 1.062 0 N-CA-C 116.063 1.875 . . . . 0.0 116.063 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 30.9 mt -89.41 -44.96 15.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 CA-C-N 122.103 2.228 . . . . 0.0 105.744 174.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -124.18 77.92 1.6 Allowed 'General case' 0 C--N 1.355 0.836 0 CA-C-O 116.83 -1.557 . . . . 0.0 111.175 -177.162 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.446 ' CG ' ' SG ' ' A' ' 20' ' ' CYS . 2.7 p90 -124.14 128.68 49.62 Favored 'General case' 0 C--N 1.36 1.035 0 CA-C-N 120.63 1.559 . . . . 0.0 114.034 177.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -118.94 102.65 8.93 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.43 -2.063 . . . . 0.0 105.43 162.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 67.1 m -106.95 -176.53 3.1 Favored 'General case' 0 C--N 1.36 1.052 0 CA-C-N 121.352 1.887 . . . . 0.0 107.477 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.37 -75.89 0.06 Allowed 'General case' 0 C--N 1.36 1.03 0 N-CA-C 105.42 -2.067 . . . . 0.0 105.42 169.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -135.63 156.01 49.54 Favored 'General case' 0 C--N 1.357 0.904 0 CA-C-O 116.989 -1.482 . . . . 0.0 111.379 178.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 130.49 -158.65 22.57 Favored Glycine 0 C--N 1.358 1.755 0 CA-C-N 119.663 1.12 . . . . 0.0 113.363 165.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 58.0 m -126.07 139.42 53.41 Favored 'General case' 0 C--N 1.357 0.922 0 CA-C-O 117.205 -1.379 . . . . 0.0 109.1 -178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.446 ' SG ' ' CG ' ' A' ' 13' ' ' TYR . 7.1 m -87.54 126.23 34.8 Favored 'General case' 0 C--N 1.354 0.769 0 CA-C-N 120.277 1.399 . . . . 0.0 109.487 -177.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.546 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.6 mtm180 -118.36 153.27 34.31 Favored 'General case' 0 C--N 1.354 0.761 0 CA-C-O 116.372 -1.775 . . . . 0.0 107.308 -175.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.8 t -44.3 78.86 0.0 OUTLIER 'General case' 0 C--N 1.354 0.784 0 O-C-N 124.722 1.264 . . . . 0.0 112.432 -172.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 21' ' ' ARG . . . 115.7 -24.89 9.96 Favored Glycine 0 C--N 1.356 1.642 0 CA-C-O 115.032 -3.093 . . . . 0.0 114.328 178.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -116.4 160.55 20.39 Favored 'General case' 0 C--N 1.355 0.833 0 CA-C-N 123.073 3.437 . . . . 0.0 111.152 -175.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 4.5 t . . . . . 0 C--N 1.361 1.094 0 CA-C-N 119.57 1.077 . . . . 0.0 111.312 167.343 . . . . . . . . 0 0 . 1 stop_ save_