data_1pjv_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 1pjv _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.086 0.47 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.0 t -68.66 119.67 13.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -99.67 116.97 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.34 -43.93 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.435 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -37.61 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.691 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -75.09 -42.72 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.027 0.441 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 t -70.78 -33.78 71.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.9 -50.8 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.517 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -49.49 76.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.757 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 110.321 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 t -56.76 -44.31 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.669 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -38.44 79.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -92.95 8.14 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.413 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -104.26 27.07 8.11 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.771 0.319 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.55 28.23 63.84 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.736 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -130.86 168.3 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.765 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -46.35 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.001 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 t -177.2 167.73 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.01 159.91 21.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.688 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 41.6 mttm -139.94 137.01 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.302 . . . . 0.0 110.732 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 8.0 t -107.14 108.49 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.2 mm -137.43 147.83 26.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 55.47 33.32 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 66.53 28.11 9.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.3 122.28 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -90.39 108.76 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 2.5 ttmt -99.69 125.26 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.696 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 163.65 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.027 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE1' ' O ' ' A' ' 28' ' ' LYS . 77.7 m-85 -141.35 105.51 6.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 172.82 12.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.43 2.087 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.882 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.021 0.439 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.95 118.89 6.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -96.14 114.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.416 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 18.7 t80 -54.35 -53.33 55.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.036 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -38.45 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.8 m -71.7 -38.21 70.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.088 0.471 . . . . 0.0 110.201 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.67 -43.91 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.277 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.94 87.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.695 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.81 -40.88 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -58.69 -51.6 69.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.4 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -72.32 -41.62 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.228 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -41.15 72.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.75 66.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -54.52 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.07 41.52 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.443 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 44.2 m-85 -131.31 177.44 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.078 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.87 -38.82 2.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 t -130.11 -171.72 2.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.223 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.406 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 163.05 163.04 14.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.712 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 28.4 mttm -145.77 140.22 27.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -95.77 115.97 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mt -87.36 155.58 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -41.47 -26.69 0.07 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.84 35.53 0.49 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -175.92 111.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 111.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.45 118.1 33.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.656 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -120.45 159.28 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.049 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -126.45 163.32 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.735 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -123.38 116.24 28.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.34 -78.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.328 2.019 . . . . 0.0 112.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.089 0.471 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.2 t -69.07 124.53 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.81 121.02 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.499 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -67.55 -37.86 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.779 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 2.1 m -73.08 -42.76 62.68 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 28.1 t70 -64.76 -47.51 77.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.97 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -68.25 -52.89 28.92 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.705 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -58.37 -39.07 78.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.103 0.478 . . . . 0.0 110.799 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.7 -44.42 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.109 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.29 -33.01 73.82 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.847 -179.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' LYS . 1.4 ptp85 -68.28 -11.97 60.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.178 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -91.95 18.31 8.05 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.681 0.277 . . . . 0.0 111.282 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.38 50.55 8.17 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.961 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -117.3 159.03 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.7 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -53.65 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -163.31 150.64 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.16 -160.79 9.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.641 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -165.75 164.02 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 17.7 t -105.84 119.46 39.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.5 mt -84.69 157.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.592 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -37.86 -30.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.269 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -155.6 39.25 0.38 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.015 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.5 109.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.4 t -93.78 126.1 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -146.04 164.48 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.019 0.438 . . . . 0.0 111.529 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.83 169.45 18.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.84 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.76 144.99 55.23 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.286 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.36 -168.05 0.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.889 2.393 . . . . 0.0 112.327 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 121.073 0.463 . . . . 0.0 111.113 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 t -60.46 127.25 30.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.09 121.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -58.77 -39.89 82.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.42 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -36.22 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.681 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 m -74.72 -42.8 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.227 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -69.89 -36.36 75.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.146 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.76 -49.56 65.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.538 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -61.63 -46.54 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -39.93 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 109.897 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.7 t -63.99 -54.66 30.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.083 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -32.76 70.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -74.81 -18.12 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -96.25 22.17 8.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.29 52.2 5.74 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.917 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 39.1 m-85 -132.54 179.15 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.792 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -112.34 -50.55 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.048 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -146.27 -174.04 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.12 161.68 28.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 138.76 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 35.3 t -91.53 109.92 21.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.0 mt -84.75 157.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -39.39 -27.67 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.51 34.29 0.45 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.769 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -177.83 119.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.88 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.1 t -88.5 107.92 19.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.596 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -85.57 160.64 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.1 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.424 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.6 m -136.48 162.09 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -140.9 100.82 6.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.024 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.513 ' O ' ' O ' ' A' ' 32' ' ' TYR . 32.8 Cg_endo -66.44 -58.34 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.254 1.969 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.202 0.601 . . . . 0.0 112.56 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.3 t -69.41 118.96 12.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.33 141.69 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.1 -44.19 76.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -68.52 -39.35 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -70.65 -39.92 73.33 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 109.738 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.3 t -68.72 -35.92 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.079 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.58 -50.79 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -62.82 -40.63 98.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.716 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -58.89 -52.56 65.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.684 179.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.4 t -63.97 -42.83 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.59 -37.63 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -98.74 23.96 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.003 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.89 29.59 6.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.28 41.14 99.74 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.652 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 46.4 m-85 -128.24 174.24 9.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -44.06 7.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.098 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' TYR . 25.2 p -154.32 146.38 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.85 160.64 17.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -159.27 137.94 10.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -79.56 107.12 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mt -128.09 141.88 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 50.47 53.46 12.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.081 0.467 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 p30 46.16 29.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.187 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.64 128.96 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.013 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.81 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 162.57 16.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.403 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -129.88 163.25 26.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.432 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 38.3 m-85 -141.99 109.51 5.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 72.6 Cg_endo -76.51 -45.56 0.19 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.632 2.221 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.696 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.072 0.463 . . . . 0.0 111.095 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.32 120.04 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 7' ' ' THR . 5.7 t -78.19 132.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -66.58 -53.04 38.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.833 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -34.48 75.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.2 m -73.92 -41.61 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -71.45 -33.62 69.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.034 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.69 -49.59 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.774 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -39.78 86.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.138 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -61.49 -51.99 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 110.413 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.3 t -65.69 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.757 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -58.48 -36.18 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -68.94 -18.31 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -56.44 6.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.723 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.33 39.84 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -130.83 173.98 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.971 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HD2' ' CD1' ' A' ' 32' ' ' TYR . 1.1 mtp180 -96.35 -39.3 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.763 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.11 -179.68 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.18 159.83 26.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.68 146.34 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -102.63 100.61 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mm -133.95 158.7 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.1 p30 46.04 29.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.513 0.673 . . . . 0.0 111.648 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.22 37.9 2.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.821 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.63 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.11 88.18 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.62 114.19 12.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 161.45 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -139.83 126.63 12.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.0 -168.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.435 2.09 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.924 0.392 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.49 126.71 30.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.84 150.54 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 3.9 t80 -63.46 -51.99 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -63.68 -34.45 77.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 m -73.22 -41.34 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 0.0 109.994 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.89 -38.37 79.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.96 -51.18 60.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -60.64 -44.99 95.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -58.12 -51.02 71.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.678 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.71 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.013 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.94 -34.49 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.62 10.02 32.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.608 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -112.02 30.82 6.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.765 179.793 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.81 45.3 96.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 32.1 m-85 -127.6 171.43 11.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -46.42 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -162.22 153.12 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.97 160.99 19.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 5.4 ttpp -154.95 124.1 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.5 t -88.55 118.42 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.8 mm -134.24 134.54 55.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m120 48.38 58.08 5.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.12 0.486 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.31 29.48 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.29 104.38 7.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.5 106.77 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.41 162.66 15.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 m -134.17 160.94 36.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 30.6 m-85 -142.44 111.43 5.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' TYR . 96.1 Cg_endo -81.16 -43.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.766 2.311 . . . . 0.0 112.574 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.762 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.083 0.468 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.0 t -79.39 119.84 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -102.32 129.46 53.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.759 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -69.9 -49.0 56.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.687 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -37.94 87.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.95 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -74.18 -43.06 58.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 110.347 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.97 -37.15 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.14 -51.36 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.49 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -46.7 88.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -56.22 -49.63 73.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.14 -36.2 74.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -47.93 76.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.563 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -68.67 -12.09 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -93.66 19.63 8.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.701 0.286 . . . . 0.0 111.363 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 58.7 2.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.056 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -138.7 157.98 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -54.67 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.104 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -143.01 -175.34 4.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.46 160.69 20.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.92 157.09 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 48.8 t -109.04 103.95 13.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.454 HD11 HG23 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -117.26 140.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.991 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 23' ' ' ILE . 79.4 m-20 51.09 54.05 11.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 48.62 28.06 1.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.108 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.08 119.27 20.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.0 t -88.0 137.29 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -147.71 124.68 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 162.47 18.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 143.67 43.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.92 -168.02 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.027 0.441 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -57.04 125.26 21.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.2 125.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 21.2 t80 -60.44 -44.14 96.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.645 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -73.3 -40.38 64.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -71.26 -38.2 71.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.06 -43.88 66.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.253 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -62.78 -42.38 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.02 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.442 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -69.5 -48.85 59.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.498 -179.654 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -43.97 79.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 0.0 110.649 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -74.99 -49.01 21.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.924 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 2.0 ptmm? -59.23 -27.75 66.06 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.19 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -22.88 59.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -32.65 53.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.687 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.36 44.43 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.431 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.431 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 20.2 m-85 -117.34 163.2 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -93.42 -51.58 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m -138.64 166.71 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -143.43 160.13 27.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 1.5 mptt -154.26 120.61 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 11.9 t -91.18 107.62 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 26' ' ' ALA . 16.4 mt -76.79 154.95 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -44.61 -22.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -149.97 28.16 0.77 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' ' 23' ' ' ILE . . . -179.29 123.02 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.1 t -94.93 126.12 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.72 141.96 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.47 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -125.03 164.46 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -127.45 130.29 23.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 32' ' ' TYR . 73.9 Cg_endo -80.05 -50.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.522 2.148 . . . . 0.0 112.447 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.165 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 121.159 0.504 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.3 t -72.6 126.83 30.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.81 123.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 2.3 t80 -62.52 -50.4 71.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -65.35 -37.59 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -42.88 57.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.027 0.441 . . . . 0.0 110.448 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.85 -33.85 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.23 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.0 -50.49 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -52.9 56.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.215 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.97 -49.4 73.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.512 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.35 -44.75 93.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.871 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -30.08 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.49 -19.01 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -72.19 -56.88 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.914 0.387 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.85 39.54 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 56.4 m-85 -128.97 172.98 10.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -105.95 -46.42 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.88 -172.8 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.4 167.33 26.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 1.7 mttm -169.6 154.98 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.4 t -108.08 108.64 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.941 0.4 . . . . 0.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.9 mm -128.86 141.02 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 47.97 58.67 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 45.9 29.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.32 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.57 118.68 15.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -87.1 104.43 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HE3' ' CZ ' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -97.51 125.65 42.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -103.51 164.22 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.428 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 71.7 m-85 -124.97 105.51 29.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.29 177.51 4.48 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.421 2.081 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 121.13 0.491 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.1 t -72.67 125.22 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.45 120.28 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.24 -43.06 96.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.299 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -37.69 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.623 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -74.99 -42.55 57.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.24 -33.43 69.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.21 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.0 -49.74 55.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.377 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -49.66 74.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.736 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.58 -51.1 69.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.16 -44.16 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -36.54 75.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.563 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -94.22 19.06 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -120.07 37.02 4.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.34 25.05 69.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.613 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.65 158.78 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -45.15 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -177.39 164.16 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.96 159.97 19.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.594 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 22.7 mttm -141.47 138.66 33.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.799 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.9 t -107.43 110.46 22.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.223 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mm -138.68 147.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 55.13 34.42 22.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.234 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 65.61 28.05 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.27 121.42 11.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.8 t -89.84 111.38 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 11.7 ttmt -101.94 124.6 47.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -79.05 163.08 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 84.5 m-85 -140.07 107.27 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.61 176.42 5.88 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.437 2.091 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.958 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.037 0.446 . . . . 0.0 111.064 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -75.56 119.74 20.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 t -100.63 123.92 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -68.76 -42.16 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -36.63 81.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.575 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -74.07 -42.31 60.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.46 . . . . 0.0 110.251 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.63 -38.3 80.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.378 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -66.4 -51.23 59.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.84 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -51.26 70.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -50.53 70.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -64.6 -39.07 93.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -48.1 74.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.446 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.084 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.35 19.5 8.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.88 45.83 25.62 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.044 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -131.85 -177.41 4.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HD2' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -111.77 -62.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -166.74 164.86 16.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -158.14 -166.13 16.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.82 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -147.82 165.24 31.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.63 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.13 109.07 20.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.17 141.8 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 49.42 54.95 10.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.107 0.48 . . . . 0.0 110.994 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 46.09 30.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.221 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.32 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -83.34 110.83 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 125.22 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.483 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 1.3 p -126.19 164.47 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 153.24 79.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.244 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HA ' ' N ' ' A' ' 18' ' ' ARG . 93.5 Cg_endo -83.72 -176.55 2.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.991 2.46 . . . . 0.0 112.356 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 3.0 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.79 118.52 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.405 ' HB ' ' HB ' ' A' ' 7' ' ' THR . 6.6 t -99.95 120.77 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 20' ' ' GLY . 10.4 t80 -68.29 -45.76 72.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.78 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -66.71 -43.11 85.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 20.2 m -71.97 -39.54 69.27 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.033 0.445 . . . . 0.0 110.261 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 t -69.87 -41.71 74.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.275 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.42 -47.89 82.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.486 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -42.84 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -57.61 -51.41 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.745 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.37 -42.28 72.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -38.75 68.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 110.636 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -68.2 -25.61 65.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.29 -42.78 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.0 44.19 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.373 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 31' ' ' PRO . 13.1 m-85 -130.92 175.86 8.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -120.43 -31.69 4.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 19.7 m -152.15 179.67 8.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 111.503 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 173.26 160.65 22.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -146.99 170.99 15.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 111.03 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -107.51 88.15 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 tp -103.05 138.22 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 51.9 44.81 29.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 59.98 28.01 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.824 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.49 128.22 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -87.6 104.16 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 128.6 54.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.411 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -118.41 151.36 37.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -129.02 142.85 46.57 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 17' ' ' TYR . 91.7 Cg_endo -86.57 175.18 5.45 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.856 2.371 . . . . 0.0 112.465 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t -59.93 118.36 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -108.63 120.98 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.18 -38.97 93.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -37.92 82.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -73.51 -43.59 59.7 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.979 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 8.6 t -70.21 -36.33 74.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.226 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.64 -48.33 72.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.575 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -46.05 86.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.74 -38.04 83.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.311 0.577 . . . . 0.0 110.092 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 6.4 t -68.99 -54.7 13.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.76 67.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.786 0.327 . . . . 0.0 110.775 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -88.79 -11.34 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.291 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -97.26 23.68 7.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.82 44.2 63.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.7 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -129.96 178.83 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.401 ' HB2' ' N ' ' A' ' 32' ' ' TYR . 10.5 tpt85 -100.58 -58.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.0 m -154.51 -175.9 5.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 111.181 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -166.98 166.28 39.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.631 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -152.7 149.45 28.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 96.82 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mt -126.73 144.98 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 54.29 37.38 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 63.89 28.65 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.82 134.48 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.76 88.59 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.09 120.37 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.686 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.435 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -109.61 137.22 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.58 -179.552 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.0 136.37 20.07 Favored Pre-proline 0 N--CA 1.454 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.49 155.13 16.17 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' N ' ' HB2' ' A' ' 18' ' ' ARG . 52.5 p90 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.966 0.412 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.83 123.39 21.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 t -111.47 151.96 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.55 -48.95 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -36.84 85.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.1 m -74.02 -41.26 62.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.111 0.482 . . . . 0.0 110.194 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.78 -39.01 80.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.22 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.39 -49.88 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 2.9 mttp -62.24 -49.24 76.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.79 -43.63 85.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.174 0.512 . . . . 0.0 110.073 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.3 t -64.18 -52.2 60.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.494 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.15 -24.79 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.623 0.249 . . . . 0.0 111.063 -179.578 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.86 7.85 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.571 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -111.44 27.97 9.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.011 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 52.42 30.47 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.778 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 87.3 m-85 -135.68 176.24 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.315 . . . . 0.0 110.899 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 7.1 ptm180 -111.66 -26.83 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.216 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.57 164.04 35.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.69 160.42 31.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.278 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.39 132.23 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 111.067 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.72 113.92 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.5 mm -130.91 138.16 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 48.06 58.27 5.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.152 0.501 . . . . 0.0 110.967 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.1 p30 46.05 29.95 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.217 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.3 109.55 8.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.62 105.66 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -89.23 161.14 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.8 m -137.14 162.9 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.266 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -140.8 111.54 6.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.46 -169.55 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.555 2.17 . . . . 0.0 112.445 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 18' ' ' ARG . 5.4 m-85 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 120.808 0.337 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 t -56.33 119.24 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.71 108.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.58 -39.23 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.417 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -41.1 88.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.6 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 19.6 m -73.56 -40.93 63.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.114 0.483 . . . . 0.0 110.118 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.1 -38.34 78.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 t0 -65.76 -51.64 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -52.82 63.5 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.3 t70 -53.88 -48.38 70.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.525 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.12 -33.6 73.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.758 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -57.06 -47.31 81.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.516 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.73 3.67 28.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.291 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -98.99 13.54 32.36 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.602 0.239 . . . . 0.0 111.369 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.67 50.64 5.54 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.055 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 15' ' ' ARG . 34.2 m-85 -132.35 169.65 16.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.68 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.76 -54.85 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.265 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 t -161.89 156.79 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -153.96 -163.14 11.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.86 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 140.2 20.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 101.06 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.53 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.6 mm -69.7 155.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -40.83 -27.77 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.239 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.31 37.14 0.47 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.264 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.87 111.16 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.98 126.26 41.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -143.8 137.12 27.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 111.588 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.417 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -129.48 167.7 17.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.703 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -141.7 150.38 56.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.237 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.92 -172.63 1.59 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.79 2.327 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.976 0.417 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 t -61.24 140.65 57.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.035 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.86 130.52 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.77 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -62.17 -47.18 85.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.53 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.915 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -72.34 -40.16 67.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 t -69.48 -43.19 73.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.209 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -62.31 -46.15 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.643 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -39.41 87.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 7' ' ' THR . 2.0 t0 -58.9 -52.41 65.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.586 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.43 -44.06 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -55.78 -42.52 75.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -18.86 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -82.18 -53.75 5.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.57 37.31 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.425 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 12.3 m-85 -130.73 172.49 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -116.49 -31.93 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.442 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -144.96 -175.69 4.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 161.71 159.96 10.54 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.836 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -141.48 143.78 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.736 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 28.8 t -94.38 107.1 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 mm -74.95 155.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -43.56 -23.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -150.9 30.41 0.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -178.81 121.24 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.927 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.4 t -97.18 120.39 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.55 138.55 54.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.444 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -121.04 154.36 36.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -115.75 133.49 22.82 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 17' ' ' TYR . 83.6 Cg_endo -81.81 173.21 11.41 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.737 2.291 . . . . 0.0 112.439 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.046 0.451 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.0 118.9 15.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.7 t -117.93 151.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.425 ' CD1' ' HG3' ' A' ' 21' ' ' LYS . 36.1 t80 -65.43 -46.58 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -34.92 77.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 88.3 m -73.69 -45.56 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -62.57 -43.84 97.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.066 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.5 t70 -62.41 -51.23 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.666 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -43.95 97.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -55.76 -50.05 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.849 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.59 -44.8 63.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.49 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -49.91 -50.42 46.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -64.47 -23.69 67.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -17.98 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.924 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.87 41.12 0.94 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -120.8 178.86 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.467 ' HG3' ' OXT' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -91.68 -51.92 5.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -152.06 161.93 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.183 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -140.27 162.31 26.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.655 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HG3' ' CD1' ' A' ' 5' ' ' TYR . 16.3 tttp -164.31 127.62 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.2 t -72.16 105.96 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.3 mm -126.62 140.84 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 49.84 53.69 12.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.079 0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 46.0 30.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.109 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.7 129.52 18.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.37 104.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -107.48 117.7 34.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 4.2 p -133.9 161.07 35.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 111.6 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.427 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -119.55 134.86 23.84 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.573 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' TYR . 87.6 Cg_endo -82.45 -43.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.888 2.392 . . . . 0.0 112.731 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' OXT' ' CG ' ' A' ' 32' ' ' TYR . 1.6 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.485 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.034 0.445 . . . . 0.0 111.072 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 t -77.04 118.13 19.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.2 t -121.11 153.56 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.08 -48.39 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -37.61 85.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -72.5 -38.9 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.095 0.474 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -69.16 -43.81 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.134 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.62 -45.97 90.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.692 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 3.5 mttp -64.15 -45.2 89.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.041 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.17 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.195 0.521 . . . . 0.0 110.199 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.9 t -65.39 -54.14 33.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.403 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.8 -33.73 74.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.72 0.295 . . . . 0.0 111.107 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.8 1.44 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.395 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 7.4 mmt-85 -108.69 30.8 6.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.828 0.347 . . . . 0.0 110.723 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.33 40.3 98.85 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.416 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 15' ' ' ARG . 54.1 m-85 -130.21 -174.05 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.006 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -93.59 -64.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.409 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -167.4 160.83 13.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -140.09 -159.52 7.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.807 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -176.21 142.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.835 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.8 t -74.34 84.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 tp -100.69 135.49 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.353 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 52.51 44.56 29.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 60.53 26.99 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.46 135.92 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -79.05 86.9 4.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -81.34 110.69 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.712 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.454 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 7.7 t -98.12 157.88 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -133.66 133.72 22.76 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.783 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.16 -173.88 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.522 2.148 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.877 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.045 0.45 . . . . 1.7 111.047 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.62 118.51 8.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.803 -0.635 . . . . 0.68999999999999995 110.848 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -102.96 131.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 1.52 110.839 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.3 -45.4 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 2.6899999999999999 111.512 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -69.51 -37.3 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 3.71 111.689 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -74.59 -41.6 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 1.51 110.304 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.32 -35.23 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.809 -0.632 . . . . 1.0600000000000001 110.304 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.66 -49.53 58.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 1.4399999999999999 110.693 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -62.8 -52.57 62.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 3.2400000000000002 111.035 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -50.28 73.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 1.51 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.3 -37.51 87.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 1.1899999999999999 110.682 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -59.43 -41.15 88.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 3.6000000000000001 110.527 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -74.27 -6.2 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 4.0800000000000001 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -96.0 22.48 7.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.741 0.305 . . . . 3.3199999999999998 111.097 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.43 51.79 5.88 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.825 -0.702 . . . . 0.92000000000000004 112.87 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 86.9 m-85 -136.79 171.45 14.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 2.2999999999999998 110.66 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -103.14 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.44 -0.345 . . . . 4.04 111.226 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -130.52 176.17 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 1.99 111.217 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.43 160.42 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 1.0600000000000001 112.469 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -154.42 163.38 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 3.7000000000000002 111.002 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 8.6 t -120.21 116.56 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.98999999999999999 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -130.83 125.92 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 3.23 111.385 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 47.32 59.56 4.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.116 0.484 . . . . 3.79 111.376 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 54.3 24.35 5.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.765 -0.652 . . . . 2.7999999999999998 111.135 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.65 103.3 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 1.3 110.936 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.3 t -86.41 109.85 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.89000000000000001 111.111 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.61 162.18 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 3.6299999999999999 110.73 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.443 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.28 164.82 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 1.73 111.069 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.39 99.82 9.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 2.6200000000000001 110.875 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.59 -167.99 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.545 2.163 . . . . 1.1499999999999999 112.308 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.257 -0.878 . . . . 4.3399999999999999 110.888 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.821 0.344 . . . . 1.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -123.59 170.29 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 46.0 t -68.66 119.67 13.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -99.67 116.97 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.34 -43.93 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.435 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -37.61 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.691 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -75.09 -42.72 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.027 0.441 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 t -70.78 -33.78 71.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.9 -50.8 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.517 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -49.49 76.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.757 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 110.321 179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 t -56.76 -44.31 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.669 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -38.44 79.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -92.95 8.14 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.413 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -104.26 27.07 8.11 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.771 0.319 . . . . 0.0 111.05 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.55 28.23 63.84 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.736 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -130.86 168.3 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.765 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -46.35 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.001 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 t -177.2 167.73 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.01 159.91 21.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.688 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.407 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 41.6 mttm -139.94 137.01 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.302 . . . . 0.0 110.732 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 8.0 t -107.14 108.49 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.2 mm -137.43 147.83 26.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 55.47 33.32 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 66.53 28.11 9.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.3 122.28 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.517 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -90.39 108.76 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 2.5 ttmt -99.69 125.26 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.696 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 163.65 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.027 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE1' ' O ' ' A' ' 28' ' ' LYS . 77.7 m-85 -141.35 105.51 6.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 172.82 12.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.43 2.087 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.882 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.791 0.329 . . . . 1.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.99 167.96 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.95 118.89 6.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -96.14 114.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.416 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 18.7 t80 -54.35 -53.33 55.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.036 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -38.45 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.8 m -71.7 -38.21 70.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.088 0.471 . . . . 0.0 110.201 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.67 -43.91 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.277 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.94 87.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.695 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.81 -40.88 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.438 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -58.69 -51.6 69.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.4 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -72.32 -41.62 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.228 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -41.15 72.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.75 66.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -54.52 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.07 41.52 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.443 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.432 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 44.2 m-85 -131.31 177.44 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.078 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.87 -38.82 2.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 t -130.11 -171.72 2.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.223 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.406 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 163.05 163.04 14.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.712 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 28.4 mttm -145.77 140.22 27.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 4.4 t -95.77 115.97 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.5 mt -87.36 155.58 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -41.47 -26.69 0.07 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.84 35.53 0.49 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -175.92 111.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 111.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -97.45 118.1 33.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.656 179.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -120.45 159.28 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.049 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.432 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -126.45 163.32 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.735 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -123.38 116.24 28.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.34 -78.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.328 2.019 . . . . 0.0 112.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.798 0.332 . . . . 1.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -104.35 170.25 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 0.0 111.13 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 41.2 t -69.07 124.53 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.043 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.81 121.02 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.499 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -67.55 -37.86 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.779 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.426 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 2.1 m -73.08 -42.76 62.68 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 28.1 t70 -64.76 -47.51 77.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.97 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -68.25 -52.89 28.92 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.705 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -58.37 -39.07 78.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.103 0.478 . . . . 0.0 110.799 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.7 -44.42 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.109 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.29 -33.01 73.82 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.847 -179.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' LYS . 1.4 ptp85 -68.28 -11.97 60.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.178 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.0 mtt-85 -91.95 18.31 8.05 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.681 0.277 . . . . 0.0 111.282 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.38 50.55 8.17 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.961 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -117.3 159.03 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.7 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -53.65 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -163.31 150.64 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -152.16 -160.79 9.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.641 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -165.75 164.02 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 17.7 t -105.84 119.46 39.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.5 mt -84.69 157.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.592 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 68.9 m-80 -37.86 -30.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.269 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -155.6 39.25 0.38 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.015 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.5 109.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.412 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.4 t -93.78 126.1 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -146.04 164.48 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.019 0.438 . . . . 0.0 111.529 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -145.83 169.45 18.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.84 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.76 144.99 55.23 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.286 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.36 -168.05 0.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.889 2.393 . . . . 0.0 112.327 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.794 0.33 . . . . 1.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -119.42 169.46 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 37.5 t -60.46 127.25 30.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.09 121.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -58.77 -39.89 82.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.42 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -36.22 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.681 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 m -74.72 -42.8 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.227 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -69.89 -36.36 75.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.146 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.76 -49.56 65.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.538 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -61.63 -46.54 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -39.93 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 109.897 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.7 t -63.99 -54.66 30.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.083 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -32.76 70.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -74.81 -18.12 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -96.25 22.17 8.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.29 52.2 5.74 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.917 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 39.1 m-85 -132.54 179.15 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.792 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.438 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -112.34 -50.55 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.048 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -146.27 -174.04 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.12 161.68 28.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 138.76 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 35.3 t -91.53 109.92 21.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 14.0 mt -84.75 157.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 20.6 p30 -39.39 -27.67 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.51 34.29 0.45 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.769 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -177.83 119.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.88 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.1 t -88.5 107.92 19.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.596 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -85.57 160.64 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.1 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.424 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.6 m -136.48 162.09 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -140.9 100.82 6.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.024 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.513 ' O ' ' O ' ' A' ' 32' ' ' TYR . 32.8 Cg_endo -66.44 -58.34 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.254 1.969 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.202 0.601 . . . . 0.0 112.56 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.858 0.361 . . . . 1.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.36 152.81 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.3 t -69.41 118.96 12.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.33 141.69 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.1 -44.19 76.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -68.52 -39.35 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -70.65 -39.92 73.33 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 109.738 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.3 t -68.72 -35.92 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.079 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.58 -50.79 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -62.82 -40.63 98.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.716 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -58.89 -52.56 65.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.684 179.718 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.4 t -63.97 -42.83 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.59 -37.63 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -98.74 23.96 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.003 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.89 29.59 6.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.28 41.14 99.74 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.652 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.403 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 46.4 m-85 -128.24 174.24 9.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -44.06 7.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.098 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' TYR . 25.2 p -154.32 146.38 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.85 160.64 17.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -159.27 137.94 10.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -79.56 107.12 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.8 mt -128.09 141.88 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 50.47 53.46 12.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.081 0.467 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 p30 46.16 29.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.187 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.64 128.96 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.013 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.81 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.62 162.57 16.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.403 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -129.88 163.25 26.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.432 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 38.3 m-85 -141.99 109.51 5.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 72.6 Cg_endo -76.51 -45.56 0.19 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.632 2.221 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.696 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.819 0.342 . . . . 1.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -101.83 169.29 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.072 0.463 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.4 t -74.32 120.04 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.974 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.419 ' HB ' ' HB ' ' A' ' 7' ' ' THR . 5.7 t -78.19 132.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -66.58 -53.04 38.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.833 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -34.48 75.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.436 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.2 m -73.92 -41.61 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.1 t -71.45 -33.62 69.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.034 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.69 -49.59 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.774 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -39.78 86.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.138 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -61.49 -51.99 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 110.413 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.3 t -65.69 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.757 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -58.48 -36.18 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -68.94 -18.31 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -56.44 6.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.723 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.33 39.84 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -130.83 173.98 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.971 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HD2' ' CD1' ' A' ' 32' ' ' TYR . 1.1 mtp180 -96.35 -39.3 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.763 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.11 -179.68 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.18 159.83 26.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.68 146.34 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 2.0 t -102.63 100.61 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.898 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.3 mm -133.95 158.7 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 15.1 p30 46.04 29.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.513 0.673 . . . . 0.0 111.648 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.22 37.9 2.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.821 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.63 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.11 88.18 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.62 114.19 12.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 161.45 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -139.83 126.63 12.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.0 -168.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.435 2.09 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.828 0.346 . . . . 1.0 110.994 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.84 167.66 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.49 126.71 30.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.84 150.54 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.413 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 3.9 t80 -63.46 -51.99 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -63.68 -34.45 77.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 m -73.22 -41.34 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 0.0 109.994 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.89 -38.37 79.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.96 -51.18 60.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -60.64 -44.99 95.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -58.12 -51.02 71.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.678 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.71 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.013 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.94 -34.49 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.62 10.02 32.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.608 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.421 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -112.02 30.82 6.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.765 179.793 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.81 45.3 96.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 32.1 m-85 -127.6 171.43 11.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -46.42 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -162.22 153.12 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.97 160.99 19.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.413 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 5.4 ttpp -154.95 124.1 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.5 t -88.55 118.42 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 30.8 mm -134.24 134.54 55.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 24.1 m120 48.38 58.08 5.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.12 0.486 . . . . 0.0 110.88 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.31 29.48 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.29 104.38 7.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.5 106.77 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.41 162.66 15.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 m -134.17 160.94 36.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.459 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 30.6 m-85 -142.44 111.43 5.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' TYR . 96.1 Cg_endo -81.16 -43.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.766 2.311 . . . . 0.0 112.574 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.762 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.831 0.348 . . . . 1.0 111.035 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.65 169.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.083 0.468 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.0 t -79.39 119.84 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.152 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -102.32 129.46 53.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.759 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -69.9 -49.0 56.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.687 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -37.94 87.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.95 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.413 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -74.18 -43.06 58.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 110.347 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.97 -37.15 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.14 -51.36 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.49 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -46.7 88.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.413 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -56.22 -49.63 73.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.14 -36.2 74.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -47.93 76.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.563 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -68.67 -12.09 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -93.66 19.63 8.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.701 0.286 . . . . 0.0 111.363 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 58.7 2.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.056 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -138.7 157.98 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -54.67 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.104 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -143.01 -175.34 4.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.46 160.69 20.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.92 157.09 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 48.8 t -109.04 103.95 13.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.454 HD11 HG23 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -117.26 140.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.991 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.419 ' N ' ' CD1' ' A' ' 23' ' ' ILE . 79.4 m-20 51.09 54.05 11.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 48.62 28.06 1.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.108 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.08 119.27 20.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.0 t -88.0 137.29 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -147.71 124.68 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 162.47 18.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 143.67 43.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.92 -168.02 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.822 0.344 . . . . 1.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.56 168.36 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -57.04 125.26 21.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.2 125.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 21.2 t80 -60.44 -44.14 96.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.645 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -73.3 -40.38 64.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -71.26 -38.2 71.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.06 -43.88 66.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.253 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -62.78 -42.38 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.02 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.442 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -69.5 -48.85 59.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.498 -179.654 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.41 -43.97 79.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 0.0 110.649 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -74.99 -49.01 21.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.924 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 2.0 ptmm? -59.23 -27.75 66.06 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.19 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -22.88 59.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -32.65 53.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.687 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.36 44.43 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.431 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.431 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 20.2 m-85 -117.34 163.2 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.427 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -93.42 -51.58 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m -138.64 166.71 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.47 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -143.43 160.13 27.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.422 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 1.5 mptt -154.26 120.61 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 11.9 t -91.18 107.62 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.407 ' HB ' ' O ' ' A' ' 26' ' ' ALA . 16.4 mt -76.79 154.95 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -44.61 -22.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -149.97 28.16 0.77 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.407 ' O ' ' HB ' ' A' ' 23' ' ' ILE . . . -179.29 123.02 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.1 t -94.93 126.12 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.72 141.96 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.47 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -125.03 164.46 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -127.45 130.29 23.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 32' ' ' TYR . 73.9 Cg_endo -80.05 -50.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.522 2.148 . . . . 0.0 112.447 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.165 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.787 0.327 . . . . 1.0 111.039 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -96.37 170.25 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.159 0.504 . . . . 0.0 111.067 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 51.3 t -72.6 126.83 30.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.133 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.81 123.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.403 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 2.3 t80 -62.52 -50.4 71.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -65.35 -37.59 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -42.88 57.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.027 0.441 . . . . 0.0 110.448 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.85 -33.85 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.23 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.0 -50.49 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -52.9 56.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.215 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.97 -49.4 73.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.512 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.35 -44.75 93.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.871 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -30.08 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.49 -19.01 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -72.19 -56.88 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.914 0.387 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.85 39.54 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.43 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 56.4 m-85 -128.97 172.98 10.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -105.95 -46.42 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.88 -172.8 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.4 167.33 26.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 1.7 mttm -169.6 154.98 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 2.4 t -108.08 108.64 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.941 0.4 . . . . 0.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.9 mm -128.86 141.02 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.871 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 47.97 58.67 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 110.968 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 45.9 29.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.32 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.57 118.68 15.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -87.1 104.43 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HE3' ' CZ ' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -97.51 125.65 42.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.43 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -103.51 164.22 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.428 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 71.7 m-85 -124.97 105.51 29.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.29 177.51 4.48 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.421 2.081 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.823 0.344 . . . . 1.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -125.85 170.31 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.13 0.491 . . . . 0.0 111.109 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 54.1 t -72.67 125.22 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.998 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.45 120.28 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.24 -43.06 96.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.299 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -37.69 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.623 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -74.99 -42.55 57.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.24 -33.43 69.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.21 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.0 -49.74 55.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.377 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -49.66 74.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.736 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.58 -51.1 69.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.16 -44.16 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -36.54 75.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.563 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -94.22 19.06 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -120.07 37.02 4.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.34 25.05 69.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.613 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.65 158.78 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -45.15 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -177.39 164.16 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.96 159.97 19.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.594 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 22.7 mttm -141.47 138.66 33.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.799 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 6.9 t -107.43 110.46 22.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.223 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.4 mm -138.68 147.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.901 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 55.13 34.42 22.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.234 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 65.61 28.05 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.27 121.42 11.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.543 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.8 t -89.84 111.38 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 11.7 ttmt -101.94 124.6 47.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -79.05 163.08 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 84.5 m-85 -140.07 107.27 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.61 176.42 5.88 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.437 2.091 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.958 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.805 0.336 . . . . 1.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -94.02 169.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.7 t -75.56 119.74 20.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 t -100.63 123.92 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -68.76 -42.16 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -36.63 81.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.575 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 4.2 m -74.07 -42.31 60.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.46 . . . . 0.0 110.251 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.63 -38.3 80.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.378 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -66.4 -51.23 59.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.84 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -51.26 70.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -56.0 -50.53 70.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -64.6 -39.07 93.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -48.1 74.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.446 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.084 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.35 19.5 8.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.88 45.83 25.62 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.044 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -131.85 -177.41 4.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.422 ' HD2' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -111.77 -62.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -166.74 164.86 16.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.483 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -158.14 -166.13 16.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.82 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -147.82 165.24 31.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.63 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.13 109.07 20.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.17 141.8 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.6 m120 49.42 54.95 10.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.107 0.48 . . . . 0.0 110.994 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 46.09 30.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.221 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.32 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -83.34 110.83 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 125.22 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.483 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 1.3 p -126.19 164.47 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 153.24 79.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.244 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.418 ' HA ' ' N ' ' A' ' 18' ' ' ARG . 93.5 Cg_endo -83.72 -176.55 2.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.991 2.46 . . . . 0.0 112.356 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.422 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 3.0 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.814 0.34 . . . . 1.0 111.042 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.35 152.62 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.79 118.52 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' HB ' ' HB ' ' A' ' 7' ' ' THR . 6.6 t -99.95 120.77 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 20' ' ' GLY . 10.4 t80 -68.29 -45.76 72.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.78 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -66.71 -43.11 85.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 20.2 m -71.97 -39.54 69.27 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.033 0.445 . . . . 0.0 110.261 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 t -69.87 -41.71 74.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.275 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -62.42 -47.89 82.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.486 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -42.84 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -57.61 -51.41 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.745 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.37 -42.28 72.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 -38.75 68.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 110.636 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -68.2 -25.61 65.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.29 -42.78 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.0 44.19 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.373 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' HA ' ' HA ' ' A' ' 31' ' ' PRO . 13.1 m-85 -130.92 175.86 8.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.414 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -120.43 -31.69 4.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 19.7 m -152.15 179.67 8.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 111.503 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 173.26 160.65 22.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -146.99 170.99 15.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 111.03 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -107.51 88.15 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 tp -103.05 138.22 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 51.9 44.81 29.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 59.98 28.01 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.824 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.49 128.22 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -87.6 104.16 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 128.6 54.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.411 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -118.41 151.36 37.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -129.02 142.85 46.57 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.417 ' HA ' ' HA ' ' A' ' 17' ' ' TYR . 91.7 Cg_endo -86.57 175.18 5.45 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.856 2.371 . . . . 0.0 112.465 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.838 0.351 . . . . 1.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.63 157.22 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t -59.93 118.36 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -108.63 120.98 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.18 -38.97 93.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -37.92 82.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -73.51 -43.59 59.7 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.979 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 8.6 t -70.21 -36.33 74.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.226 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.64 -48.33 72.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.575 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.97 -46.05 86.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.74 -38.04 83.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.311 0.577 . . . . 0.0 110.092 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 6.4 t -68.99 -54.7 13.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -29.76 67.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.786 0.327 . . . . 0.0 110.775 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -88.79 -11.34 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.291 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -97.26 23.68 7.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.82 44.2 63.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.7 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -129.96 178.83 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.401 ' HB2' ' N ' ' A' ' 32' ' ' TYR . 10.5 tpt85 -100.58 -58.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.0 m -154.51 -175.9 5.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 111.181 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.435 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -166.98 166.28 39.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.631 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -152.7 149.45 28.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -91.88 96.82 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mt -126.73 144.98 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 54.29 37.38 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 63.89 28.65 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.82 134.48 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 1.8 t -82.76 88.59 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.09 120.37 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.686 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.435 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -109.61 137.22 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.58 -179.552 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.0 136.37 20.07 Favored Pre-proline 0 N--CA 1.454 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.49 155.13 16.17 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' N ' ' HB2' ' A' ' 18' ' ' ARG . 52.5 p90 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.831 0.348 . . . . 1.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.4 167.62 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.83 123.39 21.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 t -111.47 151.96 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.55 -48.95 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -36.84 85.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.1 m -74.02 -41.26 62.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.111 0.482 . . . . 0.0 110.194 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.78 -39.01 80.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.22 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.39 -49.88 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 2.9 mttp -62.24 -49.24 76.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -57.79 -43.63 85.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.174 0.512 . . . . 0.0 110.073 179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.3 t -64.18 -52.2 60.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.494 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.15 -24.79 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.623 0.249 . . . . 0.0 111.063 -179.578 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.86 7.85 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.571 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.411 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -111.44 27.97 9.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.011 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 52.42 30.47 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.778 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.421 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 87.3 m-85 -135.68 176.24 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.315 . . . . 0.0 110.899 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 7.1 ptm180 -111.66 -26.83 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.216 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.57 164.04 35.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.69 160.42 31.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.278 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -164.39 132.23 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 111.067 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 41.9 t -89.72 113.92 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.5 mm -130.91 138.16 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 48.06 58.27 5.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.152 0.501 . . . . 0.0 110.967 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.1 p30 46.05 29.95 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.217 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.3 109.55 8.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.62 105.66 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -89.23 161.14 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.8 m -137.14 162.9 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.266 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -140.8 111.54 6.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.46 -169.55 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.555 2.17 . . . . 0.0 112.445 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.404 ' CE2' ' HB3' ' A' ' 18' ' ' ARG . 5.4 m-85 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.878 0.37 . . . . 1.0 111.056 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m -64.84 164.21 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.336 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 t -56.33 119.24 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.71 108.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.58 -39.23 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.417 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -41.1 88.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.6 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 19.6 m -73.56 -40.93 63.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.114 0.483 . . . . 0.0 110.118 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.1 -38.34 78.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 t0 -65.76 -51.64 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -52.82 63.5 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.3 t70 -53.88 -48.38 70.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.525 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.12 -33.6 73.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.758 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -57.06 -47.31 81.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.516 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.73 3.67 28.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.291 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -98.99 13.54 32.36 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.602 0.239 . . . . 0.0 111.369 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.67 50.64 5.54 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.055 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' A' ' 15' ' ' ARG . 34.2 m-85 -132.35 169.65 16.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.68 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.76 -54.85 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.265 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 t -161.89 156.79 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -153.96 -163.14 11.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.86 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 140.2 20.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.3 101.06 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.53 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 27.6 mm -69.7 155.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -40.83 -27.77 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.239 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.31 37.14 0.47 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.264 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.87 111.16 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.3 t -95.98 126.26 41.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -143.8 137.12 27.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 111.588 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.417 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -129.48 167.7 17.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.703 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -141.7 150.38 56.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.237 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.92 -172.63 1.59 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.79 2.327 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.846 0.355 . . . . 1.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.22 168.03 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 t -61.24 140.65 57.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.035 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.86 130.52 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.77 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -62.17 -47.18 85.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.53 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.915 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -72.34 -40.16 67.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 t -69.48 -43.19 73.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.209 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -62.31 -46.15 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.643 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -39.41 87.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 7' ' ' THR . 2.0 t0 -58.9 -52.41 65.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.586 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.43 -44.06 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -55.78 -42.52 75.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -18.86 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -82.18 -53.75 5.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.57 37.31 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.425 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 12.3 m-85 -130.73 172.49 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.404 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -116.49 -31.93 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.442 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.404 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -144.96 -175.69 4.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.444 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 161.71 159.96 10.54 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.836 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -141.48 143.78 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.736 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 28.8 t -94.38 107.1 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.3 mm -74.95 155.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -43.56 -23.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -150.9 30.41 0.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -178.81 121.24 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.927 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.428 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.4 t -97.18 120.39 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.55 138.55 54.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.444 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -121.04 154.36 36.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -115.75 133.49 22.82 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 17' ' ' TYR . 83.6 Cg_endo -81.81 173.21 11.41 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.737 2.291 . . . . 0.0 112.439 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.787 0.327 . . . . 1.0 111.038 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.84 168.62 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.0 118.9 15.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.7 t -117.93 151.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.425 ' CD1' ' HG3' ' A' ' 21' ' ' LYS . 36.1 t80 -65.43 -46.58 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -34.92 77.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 88.3 m -73.69 -45.56 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -62.57 -43.84 97.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.066 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.471 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.5 t70 -62.41 -51.23 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.666 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -43.95 97.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -55.76 -50.05 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.849 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.59 -44.8 63.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.49 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -49.91 -50.42 46.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -64.47 -23.69 67.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.47 -17.98 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.924 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.87 41.12 0.94 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -120.8 178.86 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.034 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.467 ' HG3' ' OXT' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -91.68 -51.92 5.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m -152.06 161.93 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.183 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -140.27 162.31 26.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.655 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HG3' ' CD1' ' A' ' 5' ' ' TYR . 16.3 tttp -164.31 127.62 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 43.2 t -72.16 105.96 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.3 mm -126.62 140.84 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 49.84 53.69 12.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.079 0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 46.0 30.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.109 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.7 129.52 18.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.37 104.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -107.48 117.7 34.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 4.2 p -133.9 161.07 35.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 111.6 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.427 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -119.55 134.86 23.84 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.573 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' TYR . 87.6 Cg_endo -82.45 -43.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.888 2.392 . . . . 0.0 112.731 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' OXT' ' CG ' ' A' ' 32' ' ' TYR . 1.6 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.485 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.824 0.345 . . . . 1.0 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -90.92 169.82 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 24.1 t -77.04 118.13 19.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.2 t -121.11 153.56 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.411 ' CZ ' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.08 -48.39 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -37.61 85.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -72.5 -38.9 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.095 0.474 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -69.16 -43.81 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.134 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.62 -45.97 90.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.692 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 3.5 mttp -64.15 -45.2 89.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.041 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.17 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.195 0.521 . . . . 0.0 110.199 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.9 t -65.39 -54.14 33.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.403 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' CG ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.8 -33.73 74.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.72 0.295 . . . . 0.0 111.107 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.8 1.44 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.395 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . 0.422 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 7.4 mmt-85 -108.69 30.8 6.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.828 0.347 . . . . 0.0 110.723 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.33 40.3 98.85 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.416 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 15' ' ' ARG . 54.1 m-85 -130.21 -174.05 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.006 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -93.59 -64.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.409 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -167.4 160.83 13.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.454 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -140.09 -159.52 7.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.807 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HG2' ' CZ ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -176.21 142.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.835 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.8 t -74.34 84.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 tp -100.69 135.49 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.353 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 52.51 44.56 29.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 60.53 26.99 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.46 135.92 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -79.05 86.9 4.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -81.34 110.69 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.712 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.454 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 7.7 t -98.12 157.88 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -133.66 133.72 22.76 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.783 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.16 -173.88 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.522 2.148 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.877 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.864 0.364 . . . . 1.96 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.17 169.25 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 1.7 111.047 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 45.4 t -64.62 118.51 8.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.803 -0.635 . . . . 0.68999999999999995 110.848 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -102.96 131.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 1.52 110.839 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.3 -45.4 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 2.6899999999999999 111.512 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -69.51 -37.3 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 3.71 111.689 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -74.59 -41.6 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 1.51 110.304 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.32 -35.23 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.809 -0.632 . . . . 1.0600000000000001 110.304 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.66 -49.53 58.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 1.4399999999999999 110.693 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -62.8 -52.57 62.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 3.2400000000000002 111.035 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -50.28 73.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 1.51 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.3 -37.51 87.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 1.1899999999999999 110.682 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -59.43 -41.15 88.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 3.6000000000000001 110.527 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -74.27 -6.2 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 4.0800000000000001 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -96.0 22.48 7.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.741 0.305 . . . . 3.3199999999999998 111.097 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.43 51.79 5.88 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.825 -0.702 . . . . 0.92000000000000004 112.87 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.443 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 86.9 m-85 -136.79 171.45 14.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 2.2999999999999998 110.66 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.426 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -103.14 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.44 -0.345 . . . . 4.04 111.226 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -130.52 176.17 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 1.99 111.217 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -163.43 160.42 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 1.0600000000000001 112.469 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -154.42 163.38 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 3.7000000000000002 111.002 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 8.6 t -120.21 116.56 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.98999999999999999 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 25.3 mm -130.83 125.92 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 3.23 111.385 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.8 m-20 47.32 59.56 4.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.116 0.484 . . . . 3.79 111.376 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 54.3 24.35 5.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.765 -0.652 . . . . 2.7999999999999998 111.135 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -128.65 103.3 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 1.3 110.936 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . 0.409 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.3 t -86.41 109.85 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.89000000000000001 111.111 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.61 162.18 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 3.6299999999999999 110.73 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.443 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.28 164.82 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 1.73 111.069 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.39 99.82 9.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 2.6200000000000001 110.875 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.59 -167.99 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.545 2.163 . . . . 1.1499999999999999 112.308 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.426 ' CD1' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.257 -0.878 . . . . 4.3399999999999999 110.888 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.086 0.47 . . . . 0.0 111.136 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 2' ' ' VAL . 46.0 t -68.66 119.67 13.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -99.67 116.97 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.34 -43.93 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.435 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -37.61 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.691 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -75.09 -42.72 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.027 0.441 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 t -70.78 -33.78 71.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.9 -50.8 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.517 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -49.49 76.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.757 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.4 t0 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 t -56.76 -44.31 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.669 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -38.44 79.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -92.95 8.14 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.413 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 2.0 ttt180 -104.26 27.07 8.11 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.771 0.319 . . . . 0.0 111.05 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.55 28.23 63.84 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.736 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -130.86 168.3 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.765 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -46.35 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.001 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 t -177.2 167.73 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.01 159.91 21.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.688 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -139.94 137.01 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.302 . . . . 0.0 110.732 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.564 ' O ' HD13 ' A' ' 23' ' ' ILE . 8.0 t -107.14 108.49 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.564 HD13 ' O ' ' A' ' 22' ' ' CYS . 30.2 mm -137.43 147.83 26.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 55.47 33.32 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 66.53 28.11 9.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.3 122.28 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -90.39 108.76 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 2.5 ttmt -99.69 125.26 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.696 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 163.65 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.027 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE1' ' O ' ' A' ' 28' ' ' LYS . 77.7 m-85 -141.35 105.51 6.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 172.82 12.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.43 2.087 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.882 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.021 0.439 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.95 118.89 6.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -96.14 114.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.425 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 18.7 t80 -54.35 -53.33 55.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.036 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -38.45 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.8 m -71.7 -38.21 70.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.088 0.471 . . . . 0.0 110.201 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.67 -43.91 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.277 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.94 87.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.695 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.81 -40.88 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -58.69 -51.6 69.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.4 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -72.32 -41.62 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.228 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -41.15 72.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.75 66.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -54.52 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.07 41.52 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.443 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 44.2 m-85 -131.31 177.44 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.078 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.87 -38.82 2.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 t -130.11 -171.72 2.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.223 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 163.05 163.04 14.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.712 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 28.4 mttm -145.77 140.22 27.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.4 t -95.77 115.97 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 24' ' ' ASN . 20.5 mt -87.36 155.58 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.1 m120 -41.47 -26.69 0.07 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.84 35.53 0.49 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -175.92 111.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 111.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 4.7 t -97.45 118.1 33.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.656 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -120.45 159.28 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.049 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -126.45 163.32 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.735 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -123.38 116.24 28.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.34 -78.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.328 2.019 . . . . 0.0 112.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.089 0.471 . . . . 0.0 111.13 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' H ' HG12 ' A' ' 2' ' ' VAL . 41.2 t -69.07 124.53 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.043 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.81 121.02 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.499 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -67.55 -37.86 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.779 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 2.1 m -73.08 -42.76 62.68 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 28.1 t70 -64.76 -47.51 77.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.97 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -68.25 -52.89 28.92 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.705 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -58.37 -39.07 78.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.103 0.478 . . . . 0.0 110.799 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.7 -44.42 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.109 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.29 -33.01 73.82 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.847 -179.466 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' LYS . 1.4 ptp85 -68.28 -11.97 60.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.178 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 4.0 mtt-85 -91.95 18.31 8.05 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.681 0.277 . . . . 0.0 111.282 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.38 50.55 8.17 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.961 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 42.3 m-85 -117.3 159.03 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.7 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -53.65 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -163.31 150.64 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -152.16 -160.79 9.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.641 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -165.75 164.02 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 17.7 t -105.84 119.46 39.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 24' ' ' ASN . 27.5 mt -84.69 157.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.592 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.476 ' N ' HG22 ' A' ' 23' ' ' ILE . 68.9 m-80 -37.86 -30.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.269 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -155.6 39.25 0.38 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.015 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.5 109.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.4 t -93.78 126.1 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -146.04 164.48 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.019 0.438 . . . . 0.0 111.529 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.42 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -145.83 169.45 18.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.84 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.76 144.99 55.23 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.286 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.36 -168.05 0.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.889 2.393 . . . . 0.0 112.327 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 121.073 0.463 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.427 ' H ' HG12 ' A' ' 2' ' ' VAL . 37.5 t -60.46 127.25 30.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.09 121.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -58.77 -39.89 82.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.42 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -36.22 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.681 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 m -74.72 -42.8 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.227 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -69.89 -36.36 75.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.146 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.76 -49.56 65.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.538 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -61.63 -46.54 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -39.93 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 109.897 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.7 t -63.99 -54.66 30.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.083 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -32.76 70.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -74.81 -18.12 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -96.25 22.17 8.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.29 52.2 5.74 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.917 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 39.1 m-85 -132.54 179.15 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.792 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -112.34 -50.55 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.048 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -146.27 -174.04 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.12 161.68 28.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 138.76 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 35.3 t -91.53 109.92 21.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 24' ' ' ASN . 14.0 mt -84.75 157.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' HG22 ' A' ' 23' ' ' ILE . 20.6 p30 -39.39 -27.67 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.51 34.29 0.45 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.769 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -177.83 119.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.88 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.1 t -88.5 107.92 19.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.596 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -85.57 160.64 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.1 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.6 m -136.48 162.09 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -140.9 100.82 6.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.024 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.513 ' O ' ' O ' ' A' ' 32' ' ' TYR . 32.8 Cg_endo -66.44 -58.34 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.254 1.969 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.202 0.601 . . . . 0.0 112.56 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.3 t -69.41 118.96 12.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.33 141.69 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.1 -44.19 76.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -68.52 -39.35 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -70.65 -39.92 73.33 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 109.738 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.3 t -68.72 -35.92 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.079 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.58 -50.79 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -62.82 -40.63 98.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.716 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -58.89 -52.56 65.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.684 179.718 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.4 t -63.97 -42.83 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.59 -37.63 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -98.74 23.96 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.003 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.89 29.59 6.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.28 41.14 99.74 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.652 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 46.4 m-85 -128.24 174.24 9.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -44.06 7.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.098 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' TYR . 25.2 p -154.32 146.38 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.85 160.64 17.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -159.27 137.94 10.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -79.56 107.12 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.664 HD12 ' HB2' ' A' ' 28' ' ' LYS . 4.8 mt -128.09 141.88 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 m120 50.47 53.46 12.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.081 0.467 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 p30 46.16 29.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.187 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.64 128.96 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.013 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.81 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.664 ' HB2' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -88.62 162.57 16.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -129.88 163.25 26.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.566 ' OH ' HD11 ' A' ' 23' ' ' ILE . 38.3 m-85 -141.99 109.51 5.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 72.6 Cg_endo -76.51 -45.56 0.19 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.632 2.221 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.696 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.072 0.463 . . . . 0.0 111.095 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' H ' HG12 ' A' ' 2' ' ' VAL . 53.4 t -74.32 120.04 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.428 HG11 ' OG1' ' A' ' 7' ' ' THR . 5.7 t -78.19 132.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -66.58 -53.04 38.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.833 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -34.48 75.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.2 m -73.92 -41.61 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 4.1 t -71.45 -33.62 69.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.034 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.69 -49.59 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.774 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -67.16 -39.78 86.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.138 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -61.49 -51.99 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 110.413 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.3 t -65.69 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.757 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -58.48 -36.18 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -68.94 -18.31 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -56.44 6.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.723 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.33 39.84 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -130.83 173.98 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.971 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HD2' ' CD1' ' A' ' 32' ' ' TYR . 1.1 mtp180 -96.35 -39.3 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.763 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.11 -179.68 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.18 159.83 26.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.68 146.34 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.509 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.0 t -102.63 100.61 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 22' ' ' CYS . 29.3 mm -133.95 158.7 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.491 ' N ' HG22 ' A' ' 23' ' ' ILE . 15.1 p30 46.04 29.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.513 0.673 . . . . 0.0 111.648 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.22 37.9 2.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.821 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.63 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.11 88.18 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.62 114.19 12.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 161.45 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -139.83 126.63 12.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.0 -168.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.435 2.09 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.924 0.392 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.49 126.71 30.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.84 150.54 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 3.9 t80 -63.46 -51.99 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -63.68 -34.45 77.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 m -73.22 -41.34 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 0.0 109.994 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.89 -38.37 79.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.96 -51.18 60.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -60.64 -44.99 95.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -58.12 -51.02 71.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.678 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.71 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.013 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.94 -34.49 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.62 10.02 32.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.608 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -112.02 30.82 6.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.765 179.793 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.81 45.3 96.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 32.1 m-85 -127.6 171.43 11.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -46.42 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -162.22 153.12 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.97 160.99 19.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 5.4 ttpp -154.95 124.1 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.474 ' O ' HD13 ' A' ' 23' ' ' ILE . 41.5 t -88.55 118.42 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.586 HG22 ' OD1' ' A' ' 24' ' ' ASN . 30.8 mm -134.24 134.54 55.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.586 ' OD1' HG22 ' A' ' 23' ' ' ILE . 24.1 m120 48.38 58.08 5.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.12 0.486 . . . . 0.0 110.88 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.31 29.48 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.29 104.38 7.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.5 106.77 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.41 162.66 15.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 m -134.17 160.94 36.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 30.6 m-85 -142.44 111.43 5.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' TYR . 96.1 Cg_endo -81.16 -43.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.766 2.311 . . . . 0.0 112.574 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.762 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.083 0.468 . . . . 0.0 111.094 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' H ' HG12 ' A' ' 2' ' ' VAL . 45.0 t -79.39 119.84 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -102.32 129.46 53.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.759 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -69.9 -49.0 56.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.687 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -37.94 87.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.95 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -74.18 -43.06 58.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 110.347 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.97 -37.15 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.14 -51.36 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.49 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -46.7 88.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -56.22 -49.63 73.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.14 -36.2 74.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -47.93 76.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.563 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -68.67 -12.09 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -93.66 19.63 8.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.701 0.286 . . . . 0.0 111.363 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 58.7 2.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.056 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -138.7 157.98 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -54.67 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.104 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -143.01 -175.34 4.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.46 160.69 20.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.92 157.09 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 48.8 t -109.04 103.95 13.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.91 HD13 ' N ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -117.26 140.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.991 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.91 ' N ' HD13 ' A' ' 23' ' ' ILE . 12.8 m120 51.09 54.05 11.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 48.62 28.06 1.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.108 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.08 119.27 20.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.0 t -88.0 137.29 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -147.71 124.68 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 162.47 18.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 143.67 43.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.92 -168.02 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.027 0.441 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -57.04 125.26 21.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.2 125.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 21.2 t80 -60.44 -44.14 96.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.645 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -73.3 -40.38 64.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.3 m -71.26 -38.2 71.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.06 -43.88 66.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.253 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -62.78 -42.38 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.02 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -69.5 -48.85 59.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.498 -179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -56.41 -43.97 79.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 0.0 110.649 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -74.99 -49.01 21.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.924 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 2.0 ptmm? -59.23 -27.75 66.06 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.19 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -22.88 59.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -32.65 53.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.687 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.36 44.43 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.431 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.429 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 20.2 m-85 -117.34 163.2 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -93.42 -51.58 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m -138.64 166.71 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -143.43 160.13 27.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 1.5 mptt -154.26 120.61 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 11.9 t -91.18 107.62 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' A' ' 26' ' ' ALA . 16.4 mt -76.79 154.95 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.409 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.6 m120 -44.61 -22.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -149.97 28.16 0.77 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' A' ' 23' ' ' ILE . . . -179.29 123.02 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.1 t -94.93 126.12 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.72 141.96 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -125.03 164.46 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -127.45 130.29 23.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 32' ' ' TYR . 73.9 Cg_endo -80.05 -50.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.522 2.148 . . . . 0.0 112.447 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.165 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 121.159 0.504 . . . . 0.0 111.067 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' H ' HG12 ' A' ' 2' ' ' VAL . 51.3 t -72.6 126.83 30.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.81 123.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 2.3 t80 -62.52 -50.4 71.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -65.35 -37.59 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -42.88 57.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.027 0.441 . . . . 0.0 110.448 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.85 -33.85 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.23 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.0 -50.49 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -52.9 56.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.215 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.97 -49.4 73.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.512 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.35 -44.75 93.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.871 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -30.08 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.49 -19.01 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -72.19 -56.88 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.914 0.387 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.85 39.54 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 56.4 m-85 -128.97 172.98 10.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -105.95 -46.42 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.88 -172.8 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.4 167.33 26.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 1.7 mttm -169.6 154.98 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.508 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.4 t -108.08 108.64 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.941 0.4 . . . . 0.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.705 HG22 ' OD1' ' A' ' 24' ' ' ASN . 25.9 mm -128.86 141.02 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.705 ' OD1' HG22 ' A' ' 23' ' ' ILE . 1.8 m-20 47.97 58.67 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 110.968 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 45.9 29.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.32 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.57 118.68 15.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -87.1 104.43 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HE3' ' CZ ' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -97.51 125.65 42.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -103.51 164.22 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 71.7 m-85 -124.97 105.51 29.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.29 177.51 4.48 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.421 2.081 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 121.13 0.491 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 2' ' ' VAL . 54.1 t -72.67 125.22 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.45 120.28 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.24 -43.06 96.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.299 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -37.69 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.623 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -74.99 -42.55 57.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.24 -33.43 69.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.21 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.0 -49.74 55.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.377 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -49.66 74.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.736 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.58 -51.1 69.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.16 -44.16 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -36.54 75.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.563 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -94.22 19.06 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -120.07 37.02 4.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.34 25.05 69.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.613 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.65 158.78 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -45.15 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -177.39 164.16 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.96 159.97 19.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.594 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 22.7 mttm -141.47 138.66 33.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.799 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.569 ' O ' HD13 ' A' ' 23' ' ' ILE . 6.9 t -107.43 110.46 22.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.223 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 22' ' ' CYS . 31.4 mm -138.68 147.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 55.13 34.42 22.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.234 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 65.61 28.05 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.27 121.42 11.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.8 t -89.84 111.38 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 11.7 ttmt -101.94 124.6 47.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -79.05 163.08 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 84.5 m-85 -140.07 107.27 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.61 176.42 5.88 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.437 2.091 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.958 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.037 0.446 . . . . 0.0 111.064 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' H ' HG12 ' A' ' 2' ' ' VAL . 44.7 t -75.56 119.74 20.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 t -100.63 123.92 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -68.76 -42.16 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -36.63 81.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.575 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 4.2 m -74.07 -42.31 60.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.46 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.63 -38.3 80.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.378 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -66.4 -51.23 59.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.84 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -51.26 70.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -56.0 -50.53 70.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -64.6 -39.07 93.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -48.1 74.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.446 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.084 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.35 19.5 8.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.88 45.83 25.62 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.044 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -131.85 -177.41 4.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' N ' ' HA ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -111.77 -62.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -166.74 164.86 16.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -158.14 -166.13 16.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.82 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -147.82 165.24 31.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.63 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.13 109.07 20.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.621 HG22 ' OD1' ' A' ' 24' ' ' ASN . 3.8 mp -130.17 141.8 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.621 ' OD1' HG22 ' A' ' 23' ' ' ILE . 2.6 m120 49.42 54.95 10.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.107 0.48 . . . . 0.0 110.994 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 46.09 30.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.221 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.32 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -83.34 110.83 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 125.22 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.511 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 1.3 p -126.19 164.47 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 153.24 79.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.244 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HA ' ' N ' ' A' ' 18' ' ' ARG . 93.5 Cg_endo -83.72 -176.55 2.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.991 2.46 . . . . 0.0 112.356 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 3.0 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.79 118.52 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.6 t -99.95 120.77 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 20' ' ' GLY . 10.4 t80 -68.29 -45.76 72.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.78 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -66.71 -43.11 85.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 20.2 m -71.97 -39.54 69.27 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.033 0.445 . . . . 0.0 110.261 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 t -69.87 -41.71 74.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.275 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 17.2 t70 -62.42 -47.89 82.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.486 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -42.84 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -57.61 -51.41 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.745 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.37 -42.28 72.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -54.93 -38.75 68.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 110.636 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -68.2 -25.61 65.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.29 -42.78 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.0 44.19 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.373 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -130.92 175.86 8.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -120.43 -31.69 4.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 19.7 m -152.15 179.67 8.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 111.503 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 173.26 160.65 22.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -146.99 170.99 15.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 111.03 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -107.51 88.15 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 tp -103.05 138.22 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 51.9 44.81 29.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 59.98 28.01 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.824 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.49 128.22 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -87.6 104.16 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 128.6 54.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -118.41 151.36 37.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -129.02 142.85 46.57 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -86.57 175.18 5.45 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.856 2.371 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t -59.93 118.36 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -108.63 120.98 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.18 -38.97 93.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -37.92 82.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -73.51 -43.59 59.7 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.979 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 8.6 t -70.21 -36.33 74.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.226 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.64 -48.33 72.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.575 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HA ' ' HG3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -63.97 -46.05 86.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.74 -38.04 83.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.311 0.577 . . . . 0.0 110.092 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 6.4 t -68.99 -54.7 13.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -58.96 -29.76 67.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.786 0.327 . . . . 0.0 110.775 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -88.79 -11.34 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.291 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -97.26 23.68 7.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.82 44.2 63.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.7 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -129.96 178.83 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HB2' ' N ' ' A' ' 32' ' ' TYR . 10.5 tpt85 -100.58 -58.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.0 m -154.51 -175.9 5.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 111.181 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -166.98 166.28 39.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.631 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -152.7 149.45 28.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -91.88 96.82 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mt -126.73 144.98 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 54.29 37.38 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 63.89 28.65 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.82 134.48 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.8 t -82.76 88.59 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.09 120.37 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.686 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -109.61 137.22 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.58 -179.552 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.0 136.37 20.07 Favored Pre-proline 0 N--CA 1.454 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.49 155.13 16.17 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.421 ' N ' ' HB2' ' A' ' 18' ' ' ARG . 52.5 p90 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.966 0.412 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.83 123.39 21.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 t -111.47 151.96 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.55 -48.95 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -36.84 85.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 85.1 m -74.02 -41.26 62.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.111 0.482 . . . . 0.0 110.194 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.78 -39.01 80.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.22 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.39 -49.88 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 2.9 mttp -62.24 -49.24 76.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.3 t0 -57.79 -43.63 85.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.174 0.512 . . . . 0.0 110.073 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.3 t -64.18 -52.2 60.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.494 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.15 -24.79 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.623 0.249 . . . . 0.0 111.063 -179.578 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -94.86 7.85 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.571 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -111.44 27.97 9.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.011 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 52.42 30.47 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.778 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 87.3 m-85 -135.68 176.24 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.315 . . . . 0.0 110.899 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 7.1 ptm180 -111.66 -26.83 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.216 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.57 164.04 35.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.69 160.42 31.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.278 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HD2' HD11 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -164.39 132.23 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 23' ' ' ILE . 41.9 t -89.72 113.92 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 21' ' ' LYS . 27.5 mm -130.91 138.16 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.645 ' OD1' HG22 ' A' ' 23' ' ' ILE . 1.8 m-20 48.06 58.27 5.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.152 0.501 . . . . 0.0 110.967 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.05 29.95 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.217 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.3 109.55 8.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.62 105.66 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -89.23 161.14 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.8 m -137.14 162.9 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.266 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -140.8 111.54 6.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.46 -169.55 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.555 2.17 . . . . 0.0 112.445 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 18' ' ' ARG . 5.4 m-85 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 120.808 0.337 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 t -56.33 119.24 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.71 108.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.58 -39.23 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.417 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -41.1 88.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.6 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 19.6 m -73.56 -40.93 63.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.114 0.483 . . . . 0.0 110.118 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.1 -38.34 78.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 t0 -65.76 -51.64 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -52.82 63.5 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.3 t70 -53.88 -48.38 70.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.525 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.12 -33.6 73.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.758 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -57.06 -47.31 81.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.516 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.73 3.67 28.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.291 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -98.99 13.54 32.36 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.602 0.239 . . . . 0.0 111.369 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.67 50.64 5.54 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.055 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' A' ' 15' ' ' ARG . 34.2 m-85 -132.35 169.65 16.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.68 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.76 -54.85 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.265 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 t -161.89 156.79 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -153.96 -163.14 11.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.86 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 140.2 20.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -97.3 101.06 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.53 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 24' ' ' ASN . 27.6 mm -69.7 155.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.434 ' N ' HG22 ' A' ' 23' ' ' ILE . 19.5 m120 -40.83 -27.77 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.239 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.31 37.14 0.47 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.264 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.87 111.16 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 7.3 t -95.98 126.26 41.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -143.8 137.12 27.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 111.588 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -129.48 167.7 17.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.703 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -141.7 150.38 56.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.237 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.92 -172.63 1.59 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.79 2.327 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.976 0.417 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 t -61.24 140.65 57.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.035 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.86 130.52 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.77 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -62.17 -47.18 85.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.53 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.915 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -72.34 -40.16 67.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 t -69.48 -43.19 73.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.209 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -62.31 -46.15 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.643 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -39.41 87.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 7' ' ' THR . 2.0 t0 -58.9 -52.41 65.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.586 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.43 -44.06 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -55.78 -42.52 75.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -18.86 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -82.18 -53.75 5.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.57 37.31 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 12.3 m-85 -130.73 172.49 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -116.49 -31.93 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.442 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -144.96 -175.69 4.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.457 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 161.71 159.96 10.54 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.836 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -141.48 143.78 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.736 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 28.8 t -94.38 107.1 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 26' ' ' ALA . 19.3 mm -74.95 155.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.2 m120 -43.56 -23.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -150.9 30.41 0.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 23' ' ' ILE . . . -178.81 121.24 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.927 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.4 t -97.18 120.39 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.55 138.55 54.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.457 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -121.04 154.36 36.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -115.75 133.49 22.82 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 17' ' ' TYR . 83.6 Cg_endo -81.81 173.21 11.41 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.737 2.291 . . . . 0.0 112.439 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.046 0.451 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.0 118.9 15.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.7 t -117.93 151.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' A' ' 21' ' ' LYS . 36.1 t80 -65.43 -46.58 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -34.92 77.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 88.3 m -73.69 -45.56 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -62.57 -43.84 97.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.066 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.5 t70 -62.41 -51.23 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.666 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -43.95 97.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -55.76 -50.05 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.849 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.59 -44.8 63.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.49 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -49.91 -50.42 46.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -64.47 -23.69 67.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HD2' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -72.47 -17.98 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.924 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.87 41.12 0.94 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' A' ' 15' ' ' ARG . 7.4 m-85 -120.8 178.86 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.034 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' CG ' ' OXT' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -91.68 -51.92 5.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' CYS . 19.9 m -152.06 161.93 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.183 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -140.27 162.31 26.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.655 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.805 ' HD3' HD11 ' A' ' 23' ' ' ILE . 16.3 tttp -164.31 127.62 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.574 ' O ' HD13 ' A' ' 23' ' ' ILE . 43.2 t -72.16 105.96 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.805 HD11 ' HD3' ' A' ' 21' ' ' LYS . 31.3 mm -126.62 140.84 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 49.84 53.69 12.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.079 0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 46.0 30.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.109 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.7 129.52 18.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.37 104.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -107.48 117.7 34.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 4.2 p -133.9 161.07 35.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 111.6 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.438 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -119.55 134.86 23.84 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.573 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' TYR . 87.6 Cg_endo -82.45 -43.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.888 2.392 . . . . 0.0 112.731 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' OXT' ' CG ' ' A' ' 32' ' ' TYR . 1.6 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.485 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.034 0.445 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' H ' HG12 ' A' ' 2' ' ' VAL . 24.1 t -77.04 118.13 19.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.2 t -121.11 153.56 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.08 -48.39 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -37.61 85.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -72.5 -38.9 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.095 0.474 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -69.16 -43.81 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.134 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.62 -45.97 90.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.692 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 3.5 mttp -64.15 -45.2 89.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.041 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.17 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.195 0.521 . . . . 0.0 110.199 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.9 t -65.39 -54.14 33.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.403 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.8 -33.73 74.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.72 0.295 . . . . 0.0 111.107 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.8 1.44 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.395 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 7.4 mmt-85 -108.69 30.8 6.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.828 0.347 . . . . 0.0 110.723 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.33 40.3 98.85 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.416 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 15' ' ' ARG . 54.1 m-85 -130.21 -174.05 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.006 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -93.59 -64.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.409 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -167.4 160.83 13.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -140.09 -159.52 7.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.807 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -176.21 142.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.835 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.8 t -74.34 84.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 28' ' ' LYS . 1.5 tp -100.69 135.49 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.353 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 52.51 44.56 29.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 60.53 26.99 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.46 135.92 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -79.05 86.9 4.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HB2' HG22 ' A' ' 23' ' ' ILE . 1.2 tptp -81.34 110.69 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.712 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 7.7 t -98.12 157.88 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -133.66 133.72 22.76 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.783 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.16 -173.88 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.522 2.148 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.877 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.045 0.45 . . . . 1.22 111.047 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.418 ' H ' HG12 ' A' ' 2' ' ' VAL . 45.4 t -64.62 118.51 8.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.803 -0.635 . . . . 0.58999999999999997 110.848 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -102.96 131.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.81000000000000005 110.839 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.3 -45.4 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 1.8 111.512 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -69.51 -37.3 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 3.27 111.689 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -74.59 -41.6 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.88 110.304 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.32 -35.23 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.809 -0.632 . . . . 1.0600000000000001 110.304 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.66 -49.53 58.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 1.4399999999999999 110.693 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -62.8 -52.57 62.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 2.8300000000000001 111.035 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -50.28 73.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 1.51 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.3 -37.51 87.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 1.1899999999999999 110.682 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -59.43 -41.15 88.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 3.1699999999999999 110.527 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -74.27 -6.2 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 3.6099999999999999 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -96.0 22.48 7.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.741 0.305 . . . . 2.8799999999999999 111.097 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.43 51.79 5.88 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.825 -0.702 . . . . 0.52000000000000002 112.87 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 86.9 m-85 -136.79 171.45 14.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 1.3999999999999999 110.66 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -103.14 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.44 -0.345 . . . . 3.54 111.226 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -130.52 176.17 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 1.5700000000000001 111.217 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -163.43 160.42 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.83999999999999997 112.469 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -154.42 163.38 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 3.29 111.002 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.49 ' O ' HD13 ' A' ' 23' ' ' ILE . 8.6 t -120.21 116.56 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.75 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 22' ' ' CYS . 25.3 mm -130.83 125.92 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 2.7400000000000002 111.385 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.0 m120 47.32 59.56 4.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.116 0.484 . . . . 3.3900000000000001 111.376 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 54.3 24.35 5.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.765 -0.652 . . . . 2.3100000000000001 111.135 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 23' ' ' ILE . . . -128.65 103.3 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.70999999999999996 110.936 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.3 t -86.41 109.85 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.89000000000000001 111.111 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.61 162.18 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 3.1699999999999999 110.73 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.28 164.82 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.95999999999999996 111.069 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.39 99.82 9.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 1.8 110.875 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.59 -167.99 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.545 2.163 . . . . 1.1499999999999999 112.308 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.257 -0.878 . . . . 4.1100000000000003 110.888 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.821 0.344 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -123.59 170.29 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 2' ' ' VAL . 46.0 t -68.66 119.67 13.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -99.67 116.97 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.34 -43.93 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.435 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -37.61 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.691 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -75.09 -42.72 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.027 0.441 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 t -70.78 -33.78 71.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.9 -50.8 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.517 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -49.49 76.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.757 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.4 t0 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 t -56.76 -44.31 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.669 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -38.44 79.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -92.95 8.14 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.413 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 2.0 ttt180 -104.26 27.07 8.11 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.771 0.319 . . . . 0.0 111.05 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.55 28.23 63.84 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.736 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -130.86 168.3 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.765 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -46.35 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.001 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 t -177.2 167.73 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.01 159.91 21.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.688 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -139.94 137.01 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.302 . . . . 0.0 110.732 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.564 ' O ' HD13 ' A' ' 23' ' ' ILE . 8.0 t -107.14 108.49 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.564 HD13 ' O ' ' A' ' 22' ' ' CYS . 30.2 mm -137.43 147.83 26.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 55.47 33.32 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 66.53 28.11 9.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.3 122.28 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -90.39 108.76 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 2.5 ttmt -99.69 125.26 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.696 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 163.65 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.027 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE1' ' O ' ' A' ' 28' ' ' LYS . 77.7 m-85 -141.35 105.51 6.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 172.82 12.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.43 2.087 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.882 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.791 0.329 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.99 167.96 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.95 118.89 6.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -96.14 114.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.425 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 18.7 t80 -54.35 -53.33 55.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.036 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -38.45 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.8 m -71.7 -38.21 70.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.088 0.471 . . . . 0.0 110.201 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.67 -43.91 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.277 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.94 87.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.695 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.81 -40.88 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -58.69 -51.6 69.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.4 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -72.32 -41.62 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.228 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -41.15 72.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.75 66.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -54.52 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.07 41.52 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.443 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 44.2 m-85 -131.31 177.44 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.078 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.87 -38.82 2.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 t -130.11 -171.72 2.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.223 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 163.05 163.04 14.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.712 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 28.4 mttm -145.77 140.22 27.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.4 t -95.77 115.97 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 24' ' ' ASN . 20.5 mt -87.36 155.58 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.1 m120 -41.47 -26.69 0.07 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.84 35.53 0.49 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -175.92 111.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 111.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 4.7 t -97.45 118.1 33.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.656 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -120.45 159.28 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.049 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -126.45 163.32 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.735 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -123.38 116.24 28.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.34 -78.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.328 2.019 . . . . 0.0 112.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.798 0.332 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -104.35 170.25 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 0.0 111.13 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' H ' HG12 ' A' ' 2' ' ' VAL . 41.2 t -69.07 124.53 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.043 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.81 121.02 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.499 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -67.55 -37.86 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.779 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 2.1 m -73.08 -42.76 62.68 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 28.1 t70 -64.76 -47.51 77.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.97 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -68.25 -52.89 28.92 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.705 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -58.37 -39.07 78.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.103 0.478 . . . . 0.0 110.799 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.7 -44.42 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.109 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.29 -33.01 73.82 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.847 -179.466 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' LYS . 1.4 ptp85 -68.28 -11.97 60.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.178 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 4.0 mtt-85 -91.95 18.31 8.05 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.681 0.277 . . . . 0.0 111.282 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.38 50.55 8.17 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.961 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 42.3 m-85 -117.3 159.03 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.7 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -53.65 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -163.31 150.64 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -152.16 -160.79 9.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.641 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -165.75 164.02 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 17.7 t -105.84 119.46 39.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 24' ' ' ASN . 27.5 mt -84.69 157.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.592 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.476 ' N ' HG22 ' A' ' 23' ' ' ILE . 68.9 m-80 -37.86 -30.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.269 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -155.6 39.25 0.38 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.015 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.5 109.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.4 t -93.78 126.1 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -146.04 164.48 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.019 0.438 . . . . 0.0 111.529 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.42 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -145.83 169.45 18.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.84 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.76 144.99 55.23 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.286 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.36 -168.05 0.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.889 2.393 . . . . 0.0 112.327 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.794 0.33 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -119.42 169.46 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.427 ' H ' HG12 ' A' ' 2' ' ' VAL . 37.5 t -60.46 127.25 30.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.09 121.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -58.77 -39.89 82.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.42 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -36.22 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.681 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 m -74.72 -42.8 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.227 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -69.89 -36.36 75.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.146 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.76 -49.56 65.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.538 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -61.63 -46.54 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -39.93 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 109.897 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.7 t -63.99 -54.66 30.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.083 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -32.76 70.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -74.81 -18.12 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -96.25 22.17 8.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.29 52.2 5.74 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.917 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 39.1 m-85 -132.54 179.15 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.792 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -112.34 -50.55 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.048 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -146.27 -174.04 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.12 161.68 28.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 138.76 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 35.3 t -91.53 109.92 21.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 24' ' ' ASN . 14.0 mt -84.75 157.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' HG22 ' A' ' 23' ' ' ILE . 20.6 p30 -39.39 -27.67 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.51 34.29 0.45 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.769 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -177.83 119.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.88 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.1 t -88.5 107.92 19.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.596 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -85.57 160.64 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.1 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.6 m -136.48 162.09 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -140.9 100.82 6.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.024 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.513 ' O ' ' O ' ' A' ' 32' ' ' TYR . 32.8 Cg_endo -66.44 -58.34 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.254 1.969 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.202 0.601 . . . . 0.0 112.56 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.36 152.81 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.3 t -69.41 118.96 12.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.33 141.69 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.1 -44.19 76.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -68.52 -39.35 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -70.65 -39.92 73.33 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 109.738 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.3 t -68.72 -35.92 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.079 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.58 -50.79 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -62.82 -40.63 98.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.716 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -58.89 -52.56 65.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.684 179.718 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.4 t -63.97 -42.83 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.59 -37.63 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -98.74 23.96 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.003 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.89 29.59 6.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.28 41.14 99.74 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.652 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 46.4 m-85 -128.24 174.24 9.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -44.06 7.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.098 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' TYR . 25.2 p -154.32 146.38 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.85 160.64 17.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -159.27 137.94 10.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -79.56 107.12 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.664 HD12 ' HB2' ' A' ' 28' ' ' LYS . 4.8 mt -128.09 141.88 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 29.3 m120 50.47 53.46 12.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.081 0.467 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 p30 46.16 29.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.187 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.64 128.96 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.013 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.81 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.664 ' HB2' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -88.62 162.57 16.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -129.88 163.25 26.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.566 ' OH ' HD11 ' A' ' 23' ' ' ILE . 38.3 m-85 -141.99 109.51 5.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 72.6 Cg_endo -76.51 -45.56 0.19 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.632 2.221 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.696 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -101.83 169.29 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.072 0.463 . . . . 0.0 111.095 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' H ' HG12 ' A' ' 2' ' ' VAL . 53.4 t -74.32 120.04 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.428 HG11 ' OG1' ' A' ' 7' ' ' THR . 5.7 t -78.19 132.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -66.58 -53.04 38.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.833 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -34.48 75.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.2 m -73.92 -41.61 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 4.1 t -71.45 -33.62 69.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.034 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.69 -49.59 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.774 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -67.16 -39.78 86.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.138 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -61.49 -51.99 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 110.413 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.3 t -65.69 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.757 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -58.48 -36.18 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -68.94 -18.31 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -56.44 6.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.723 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.33 39.84 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -130.83 173.98 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.971 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HD2' ' CD1' ' A' ' 32' ' ' TYR . 1.1 mtp180 -96.35 -39.3 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.763 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.11 -179.68 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.18 159.83 26.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.68 146.34 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.509 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.0 t -102.63 100.61 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 22' ' ' CYS . 29.3 mm -133.95 158.7 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.491 ' N ' HG22 ' A' ' 23' ' ' ILE . 15.1 p30 46.04 29.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.513 0.673 . . . . 0.0 111.648 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.22 37.9 2.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.821 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.63 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.11 88.18 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.62 114.19 12.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 161.45 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -139.83 126.63 12.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.0 -168.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.435 2.09 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.828 0.346 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.84 167.66 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.49 126.71 30.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.84 150.54 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 3.9 t80 -63.46 -51.99 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -63.68 -34.45 77.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 m -73.22 -41.34 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 0.0 109.994 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.89 -38.37 79.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.96 -51.18 60.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -60.64 -44.99 95.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -58.12 -51.02 71.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.678 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.71 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.013 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.94 -34.49 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.62 10.02 32.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.608 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -112.02 30.82 6.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.765 179.793 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.81 45.3 96.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 32.1 m-85 -127.6 171.43 11.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -46.42 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -162.22 153.12 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.97 160.99 19.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 5.4 ttpp -154.95 124.1 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.474 ' O ' HD13 ' A' ' 23' ' ' ILE . 41.5 t -88.55 118.42 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.586 HG22 ' OD1' ' A' ' 24' ' ' ASN . 30.8 mm -134.24 134.54 55.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.586 ' OD1' HG22 ' A' ' 23' ' ' ILE . 24.1 m120 48.38 58.08 5.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.12 0.486 . . . . 0.0 110.88 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.31 29.48 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.29 104.38 7.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.5 106.77 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.41 162.66 15.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 m -134.17 160.94 36.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 30.6 m-85 -142.44 111.43 5.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' TYR . 96.1 Cg_endo -81.16 -43.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.766 2.311 . . . . 0.0 112.574 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.762 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.831 0.348 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER -117.65 169.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.083 0.468 . . . . 0.0 111.094 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' H ' HG12 ' A' ' 2' ' ' VAL . 45.0 t -79.39 119.84 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -102.32 129.46 53.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.759 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -69.9 -49.0 56.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.687 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -37.94 87.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.95 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -74.18 -43.06 58.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 110.347 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.97 -37.15 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.14 -51.36 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.49 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -46.7 88.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -56.22 -49.63 73.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.14 -36.2 74.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -47.93 76.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.563 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -68.67 -12.09 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -93.66 19.63 8.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.701 0.286 . . . . 0.0 111.363 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 58.7 2.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.056 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -138.7 157.98 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -54.67 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.104 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -143.01 -175.34 4.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.46 160.69 20.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.92 157.09 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 48.8 t -109.04 103.95 13.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.91 HD13 ' N ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -117.26 140.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.991 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.91 ' N ' HD13 ' A' ' 23' ' ' ILE . 12.8 m120 51.09 54.05 11.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 48.62 28.06 1.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.108 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.08 119.27 20.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.0 t -88.0 137.29 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -147.71 124.68 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 162.47 18.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 143.67 43.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.92 -168.02 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.56 168.36 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -57.04 125.26 21.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.2 125.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 21.2 t80 -60.44 -44.14 96.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.645 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -73.3 -40.38 64.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.3 m -71.26 -38.2 71.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.06 -43.88 66.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.253 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -62.78 -42.38 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.02 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -69.5 -48.85 59.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.498 -179.654 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -56.41 -43.97 79.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 0.0 110.649 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -74.99 -49.01 21.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.924 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 2.0 ptmm? -59.23 -27.75 66.06 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.19 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -22.88 59.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -32.65 53.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.687 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.36 44.43 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.431 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.429 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 20.2 m-85 -117.34 163.2 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -93.42 -51.58 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m -138.64 166.71 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -143.43 160.13 27.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 1.5 mptt -154.26 120.61 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 11.9 t -91.18 107.62 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' A' ' 26' ' ' ALA . 16.4 mt -76.79 154.95 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.409 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.6 m120 -44.61 -22.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -149.97 28.16 0.77 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' A' ' 23' ' ' ILE . . . -179.29 123.02 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.1 t -94.93 126.12 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.72 141.96 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -125.03 164.46 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -127.45 130.29 23.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 32' ' ' TYR . 73.9 Cg_endo -80.05 -50.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.522 2.148 . . . . 0.0 112.447 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.165 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.787 0.327 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -96.37 170.25 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.159 0.504 . . . . 0.0 111.067 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' H ' HG12 ' A' ' 2' ' ' VAL . 51.3 t -72.6 126.83 30.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.81 123.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 2.3 t80 -62.52 -50.4 71.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -65.35 -37.59 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -42.88 57.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.027 0.441 . . . . 0.0 110.448 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.85 -33.85 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.23 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.0 -50.49 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -52.9 56.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.215 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.97 -49.4 73.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.512 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.35 -44.75 93.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.871 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -30.08 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.49 -19.01 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -72.19 -56.88 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.914 0.387 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.85 39.54 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 56.4 m-85 -128.97 172.98 10.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -105.95 -46.42 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.88 -172.8 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.4 167.33 26.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 1.7 mttm -169.6 154.98 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.508 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.4 t -108.08 108.64 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.941 0.4 . . . . 0.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.705 HG22 ' OD1' ' A' ' 24' ' ' ASN . 25.9 mm -128.86 141.02 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.705 ' OD1' HG22 ' A' ' 23' ' ' ILE . 1.8 m-20 47.97 58.67 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 110.968 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 45.9 29.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.32 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.57 118.68 15.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -87.1 104.43 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HE3' ' CZ ' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -97.51 125.65 42.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -103.51 164.22 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 71.7 m-85 -124.97 105.51 29.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.29 177.51 4.48 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.421 2.081 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.823 0.344 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -125.85 170.31 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.13 0.491 . . . . 0.0 111.109 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 2' ' ' VAL . 54.1 t -72.67 125.22 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.45 120.28 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.24 -43.06 96.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.299 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -37.69 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.623 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -74.99 -42.55 57.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.24 -33.43 69.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.21 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.0 -49.74 55.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.377 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -49.66 74.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.736 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.58 -51.1 69.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.16 -44.16 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -36.54 75.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.563 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -94.22 19.06 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -120.07 37.02 4.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.34 25.05 69.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.613 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.65 158.78 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -45.15 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -177.39 164.16 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.96 159.97 19.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.594 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 22.7 mttm -141.47 138.66 33.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.799 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.569 ' O ' HD13 ' A' ' 23' ' ' ILE . 6.9 t -107.43 110.46 22.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.223 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 22' ' ' CYS . 31.4 mm -138.68 147.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 55.13 34.42 22.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.234 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 65.61 28.05 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.27 121.42 11.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.8 t -89.84 111.38 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 11.7 ttmt -101.94 124.6 47.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -79.05 163.08 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 84.5 m-85 -140.07 107.27 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.61 176.42 5.88 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.437 2.091 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.958 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.805 0.336 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -94.02 169.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' H ' HG12 ' A' ' 2' ' ' VAL . 44.7 t -75.56 119.74 20.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 t -100.63 123.92 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -68.76 -42.16 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -36.63 81.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.575 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 4.2 m -74.07 -42.31 60.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.46 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.63 -38.3 80.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.378 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -66.4 -51.23 59.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.84 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -51.26 70.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -56.0 -50.53 70.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -64.6 -39.07 93.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -48.1 74.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.446 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.084 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.35 19.5 8.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.88 45.83 25.62 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.044 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -131.85 -177.41 4.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' N ' ' HA ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -111.77 -62.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -166.74 164.86 16.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -158.14 -166.13 16.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.82 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -147.82 165.24 31.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.63 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.13 109.07 20.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.621 HG22 ' OD1' ' A' ' 24' ' ' ASN . 3.8 mp -130.17 141.8 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.621 ' OD1' HG22 ' A' ' 23' ' ' ILE . 2.6 m120 49.42 54.95 10.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.107 0.48 . . . . 0.0 110.994 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 46.09 30.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.221 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.32 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -83.34 110.83 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 125.22 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.511 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 1.3 p -126.19 164.47 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 153.24 79.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.244 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HA ' ' N ' ' A' ' 18' ' ' ARG . 93.5 Cg_endo -83.72 -176.55 2.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.991 2.46 . . . . 0.0 112.356 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 3.0 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.35 152.62 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.79 118.52 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.6 t -99.95 120.77 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 20' ' ' GLY . 10.4 t80 -68.29 -45.76 72.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.78 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -66.71 -43.11 85.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 20.2 m -71.97 -39.54 69.27 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.033 0.445 . . . . 0.0 110.261 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 t -69.87 -41.71 74.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.275 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 17.2 t70 -62.42 -47.89 82.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.486 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -42.84 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -57.61 -51.41 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.745 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.37 -42.28 72.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -54.93 -38.75 68.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 110.636 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -68.2 -25.61 65.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.29 -42.78 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.0 44.19 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.373 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -130.92 175.86 8.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -120.43 -31.69 4.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 19.7 m -152.15 179.67 8.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 111.503 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 173.26 160.65 22.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -146.99 170.99 15.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 111.03 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -107.51 88.15 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 tp -103.05 138.22 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 51.9 44.81 29.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 59.98 28.01 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.824 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.49 128.22 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -87.6 104.16 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 128.6 54.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -118.41 151.36 37.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -129.02 142.85 46.57 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -86.57 175.18 5.45 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.856 2.371 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.63 157.22 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t -59.93 118.36 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -108.63 120.98 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.18 -38.97 93.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -37.92 82.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -73.51 -43.59 59.7 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.979 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 8.6 t -70.21 -36.33 74.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.226 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.64 -48.33 72.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.575 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HA ' ' HG3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -63.97 -46.05 86.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.74 -38.04 83.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.311 0.577 . . . . 0.0 110.092 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 6.4 t -68.99 -54.7 13.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -58.96 -29.76 67.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.786 0.327 . . . . 0.0 110.775 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -88.79 -11.34 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.291 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -97.26 23.68 7.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.82 44.2 63.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.7 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -129.96 178.83 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HB2' ' N ' ' A' ' 32' ' ' TYR . 10.5 tpt85 -100.58 -58.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.0 m -154.51 -175.9 5.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 111.181 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -166.98 166.28 39.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.631 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -152.7 149.45 28.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -91.88 96.82 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mt -126.73 144.98 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 54.29 37.38 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 63.89 28.65 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.82 134.48 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.8 t -82.76 88.59 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.09 120.37 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.686 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -109.61 137.22 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.58 -179.552 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.0 136.37 20.07 Favored Pre-proline 0 N--CA 1.454 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.49 155.13 16.17 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.421 ' N ' ' HB2' ' A' ' 18' ' ' ARG . 52.5 p90 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.831 0.348 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.4 167.62 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.83 123.39 21.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 t -111.47 151.96 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.55 -48.95 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -36.84 85.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 85.1 m -74.02 -41.26 62.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.111 0.482 . . . . 0.0 110.194 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.78 -39.01 80.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.22 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.39 -49.88 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 2.9 mttp -62.24 -49.24 76.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.3 t0 -57.79 -43.63 85.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.174 0.512 . . . . 0.0 110.073 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.3 t -64.18 -52.2 60.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.494 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.15 -24.79 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.623 0.249 . . . . 0.0 111.063 -179.578 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -94.86 7.85 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.571 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -111.44 27.97 9.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.011 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 52.42 30.47 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.778 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 87.3 m-85 -135.68 176.24 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.315 . . . . 0.0 110.899 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 7.1 ptm180 -111.66 -26.83 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.216 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.57 164.04 35.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.69 160.42 31.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.278 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HD2' HD11 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -164.39 132.23 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 23' ' ' ILE . 41.9 t -89.72 113.92 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 21' ' ' LYS . 27.5 mm -130.91 138.16 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.645 ' OD1' HG22 ' A' ' 23' ' ' ILE . 1.8 m-20 48.06 58.27 5.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.152 0.501 . . . . 0.0 110.967 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 46.05 29.95 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.217 -179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.3 109.55 8.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.62 105.66 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -89.23 161.14 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.8 m -137.14 162.9 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.266 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -140.8 111.54 6.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.46 -169.55 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.555 2.17 . . . . 0.0 112.445 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 18' ' ' ARG . 5.4 m-85 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.878 0.37 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 2' ' ' VAL . 3.3 m -64.84 164.21 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.336 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 t -56.33 119.24 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.71 108.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.58 -39.23 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.417 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -41.1 88.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.6 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 19.6 m -73.56 -40.93 63.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.114 0.483 . . . . 0.0 110.118 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.1 -38.34 78.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 t0 -65.76 -51.64 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -52.82 63.5 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.3 t70 -53.88 -48.38 70.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.525 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.12 -33.6 73.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.758 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -57.06 -47.31 81.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.516 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.73 3.67 28.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.291 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -98.99 13.54 32.36 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.602 0.239 . . . . 0.0 111.369 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.67 50.64 5.54 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.055 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' A' ' 15' ' ' ARG . 34.2 m-85 -132.35 169.65 16.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.68 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.76 -54.85 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.265 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 t -161.89 156.79 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -153.96 -163.14 11.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.86 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 140.2 20.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -97.3 101.06 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.53 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 24' ' ' ASN . 27.6 mm -69.7 155.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.434 ' N ' HG22 ' A' ' 23' ' ' ILE . 19.5 m120 -40.83 -27.77 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.239 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.31 37.14 0.47 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.264 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.87 111.16 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 7.3 t -95.98 126.26 41.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -143.8 137.12 27.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 111.588 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -129.48 167.7 17.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.703 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -141.7 150.38 56.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.237 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.92 -172.63 1.59 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.79 2.327 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.22 168.03 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 t -61.24 140.65 57.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.035 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.86 130.52 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.77 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -62.17 -47.18 85.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.53 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.915 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -72.34 -40.16 67.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 t -69.48 -43.19 73.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.209 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -62.31 -46.15 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.643 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -39.41 87.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 7' ' ' THR . 2.0 t0 -58.9 -52.41 65.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.586 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.43 -44.06 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -55.78 -42.52 75.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -18.86 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -82.18 -53.75 5.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.57 37.31 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 12.3 m-85 -130.73 172.49 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -116.49 -31.93 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.442 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -144.96 -175.69 4.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 161.71 159.96 10.54 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.836 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -141.48 143.78 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.736 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 28.8 t -94.38 107.1 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 26' ' ' ALA . 19.3 mm -74.95 155.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.2 m120 -43.56 -23.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -150.9 30.41 0.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 23' ' ' ILE . . . -178.81 121.24 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.927 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.4 t -97.18 120.39 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.55 138.55 54.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.457 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -121.04 154.36 36.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -115.75 133.49 22.82 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 17' ' ' TYR . 83.6 Cg_endo -81.81 173.21 11.41 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.737 2.291 . . . . 0.0 112.439 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.787 0.327 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.84 168.62 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.0 118.9 15.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.7 t -117.93 151.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' A' ' 21' ' ' LYS . 36.1 t80 -65.43 -46.58 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -34.92 77.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 88.3 m -73.69 -45.56 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -62.57 -43.84 97.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.066 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.5 t70 -62.41 -51.23 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.666 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -43.95 97.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -55.76 -50.05 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.849 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.59 -44.8 63.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.49 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -49.91 -50.42 46.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -64.47 -23.69 67.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HD2' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -72.47 -17.98 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.924 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.87 41.12 0.94 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' A' ' 15' ' ' ARG . 7.4 m-85 -120.8 178.86 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.034 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' CG ' ' OXT' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -91.68 -51.92 5.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' CYS . 19.9 m -152.06 161.93 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.183 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -140.27 162.31 26.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.655 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.805 ' HD3' HD11 ' A' ' 23' ' ' ILE . 16.3 tttp -164.31 127.62 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.574 ' O ' HD13 ' A' ' 23' ' ' ILE . 43.2 t -72.16 105.96 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.805 HD11 ' HD3' ' A' ' 21' ' ' LYS . 31.3 mm -126.62 140.84 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 49.84 53.69 12.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.079 0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 46.0 30.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.109 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.7 129.52 18.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.37 104.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -107.48 117.7 34.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 4.2 p -133.9 161.07 35.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 111.6 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.438 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -119.55 134.86 23.84 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.573 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' TYR . 87.6 Cg_endo -82.45 -43.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.888 2.392 . . . . 0.0 112.731 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' OXT' ' CG ' ' A' ' 32' ' ' TYR . 1.6 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.485 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER -90.92 169.82 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' H ' HG12 ' A' ' 2' ' ' VAL . 24.1 t -77.04 118.13 19.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.2 t -121.11 153.56 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.08 -48.39 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -37.61 85.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -72.5 -38.9 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.095 0.474 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -69.16 -43.81 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.134 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.62 -45.97 90.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.692 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 3.5 mttp -64.15 -45.2 89.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.041 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.17 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.195 0.521 . . . . 0.0 110.199 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.9 t -65.39 -54.14 33.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.403 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.8 -33.73 74.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.72 0.295 . . . . 0.0 111.107 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.8 1.44 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.395 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 7.4 mmt-85 -108.69 30.8 6.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.828 0.347 . . . . 0.0 110.723 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.33 40.3 98.85 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.416 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 15' ' ' ARG . 54.1 m-85 -130.21 -174.05 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.006 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -93.59 -64.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.409 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -167.4 160.83 13.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -140.09 -159.52 7.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.807 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -176.21 142.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.835 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.8 t -74.34 84.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 28' ' ' LYS . 1.5 tp -100.69 135.49 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.353 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 52.51 44.56 29.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 60.53 26.99 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.46 135.92 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -79.05 86.9 4.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HB2' HG22 ' A' ' 23' ' ' ILE . 1.2 tptp -81.34 110.69 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.712 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 7.7 t -98.12 157.88 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -133.66 133.72 22.76 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.783 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.16 -173.88 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.522 2.148 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.877 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.864 0.364 . . . . 1.47 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -120.17 169.25 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 1.22 111.047 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.418 ' H ' HG12 ' A' ' 2' ' ' VAL . 45.4 t -64.62 118.51 8.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.803 -0.635 . . . . 0.58999999999999997 110.848 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -102.96 131.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.81000000000000005 110.839 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.3 -45.4 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 1.8 111.512 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -69.51 -37.3 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 3.27 111.689 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -74.59 -41.6 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.88 110.304 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.32 -35.23 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.809 -0.632 . . . . 1.0600000000000001 110.304 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.66 -49.53 58.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 1.4399999999999999 110.693 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -62.8 -52.57 62.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 2.8300000000000001 111.035 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -50.28 73.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 1.51 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.3 -37.51 87.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 1.1899999999999999 110.682 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -59.43 -41.15 88.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 3.1699999999999999 110.527 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -74.27 -6.2 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 3.6099999999999999 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -96.0 22.48 7.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.741 0.305 . . . . 2.8799999999999999 111.097 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.43 51.79 5.88 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.825 -0.702 . . . . 0.52000000000000002 112.87 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 86.9 m-85 -136.79 171.45 14.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 1.3999999999999999 110.66 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -103.14 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.44 -0.345 . . . . 3.54 111.226 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -130.52 176.17 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 1.5700000000000001 111.217 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -163.43 160.42 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.83999999999999997 112.469 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -154.42 163.38 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 3.29 111.002 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.49 ' O ' HD13 ' A' ' 23' ' ' ILE . 8.6 t -120.21 116.56 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.75 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.49 HD13 ' O ' ' A' ' 22' ' ' CYS . 25.3 mm -130.83 125.92 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 2.7400000000000002 111.385 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 23.0 m120 47.32 59.56 4.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.116 0.484 . . . . 3.3900000000000001 111.376 179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 54.3 24.35 5.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.765 -0.652 . . . . 2.3100000000000001 111.135 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 23' ' ' ILE . . . -128.65 103.3 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.70999999999999996 110.936 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.3 t -86.41 109.85 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.89000000000000001 111.111 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.61 162.18 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 3.1699999999999999 110.73 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.28 164.82 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.95999999999999996 111.069 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.39 99.82 9.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 1.8 110.875 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.59 -167.99 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.545 2.163 . . . . 1.1499999999999999 112.308 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.257 -0.878 . . . . 4.1100000000000003 110.888 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.086 0.47 . . . . 0.0 111.136 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 2' ' ' VAL . 46.0 t -68.66 119.67 13.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -99.67 116.97 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.34 -43.93 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.435 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -37.61 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.691 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -75.09 -42.72 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.027 0.441 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 t -70.78 -33.78 71.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.9 -50.8 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.517 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -49.49 76.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.757 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.4 t0 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 t -56.76 -44.31 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.669 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -38.44 79.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -92.95 8.14 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.413 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 2.0 ttt180 -104.26 27.07 8.11 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.771 0.319 . . . . 0.0 111.05 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.55 28.23 63.84 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.736 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -130.86 168.3 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.765 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -46.35 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.001 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 t -177.2 167.73 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.01 159.91 21.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.688 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -139.94 137.01 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.302 . . . . 0.0 110.732 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.564 ' O ' HD13 ' A' ' 23' ' ' ILE . 8.0 t -107.14 108.49 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.564 HD13 ' O ' ' A' ' 22' ' ' CYS . 30.2 mm -137.43 147.83 26.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 55.47 33.32 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 66.53 28.11 9.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.3 122.28 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -90.39 108.76 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 2.5 ttmt -99.69 125.26 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.696 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 163.65 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.027 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE1' ' O ' ' A' ' 28' ' ' LYS . 77.7 m-85 -141.35 105.51 6.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 172.82 12.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.43 2.087 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.882 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.23 0.057 0 CA-C-O 121.021 0.439 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.95 118.89 6.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -96.14 114.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.425 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 18.7 t80 -54.35 -53.33 55.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.036 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -38.45 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.8 m -71.7 -38.21 70.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.088 0.471 . . . . 0.0 110.201 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.67 -43.91 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.277 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.94 87.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.695 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.81 -40.88 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -58.69 -51.6 69.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.4 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -72.32 -41.62 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.228 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -41.15 72.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.75 66.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -54.52 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.07 41.52 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.443 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 44.2 m-85 -131.31 177.44 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.078 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.87 -38.82 2.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 t -130.11 -171.72 2.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.223 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 163.05 163.04 14.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.712 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 28.4 mttm -145.77 140.22 27.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.4 t -95.77 115.97 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 24' ' ' ASN . 20.5 mt -87.36 155.58 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.1 m120 -41.47 -26.69 0.07 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.84 35.53 0.49 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -175.92 111.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 111.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 4.7 t -97.45 118.1 33.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.656 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -120.45 159.28 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.049 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -126.45 163.32 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.735 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -123.38 116.24 28.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.34 -78.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.328 2.019 . . . . 0.0 112.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.089 0.471 . . . . 0.0 111.13 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' H ' HG12 ' A' ' 2' ' ' VAL . 41.2 t -69.07 124.53 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.043 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.81 121.02 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.499 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -67.55 -37.86 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.779 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 2.1 m -73.08 -42.76 62.68 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 28.1 t70 -64.76 -47.51 77.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.97 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -68.25 -52.89 28.92 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.705 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -58.37 -39.07 78.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.103 0.478 . . . . 0.0 110.799 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.7 -44.42 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.109 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.29 -33.01 73.82 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.847 -179.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' LYS . 1.4 ptp85 -68.28 -11.97 60.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.178 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 4.0 mtt-85 -91.95 18.31 8.05 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.681 0.277 . . . . 0.0 111.282 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.38 50.55 8.17 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.961 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 42.3 m-85 -117.3 159.03 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.7 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -53.65 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -163.31 150.64 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -152.16 -160.79 9.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.641 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -165.75 164.02 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 17.7 t -105.84 119.46 39.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 24' ' ' ASN . 27.5 mt -84.69 157.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.592 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.476 ' N ' HG22 ' A' ' 23' ' ' ILE . 68.9 m-80 -37.86 -30.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.269 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -155.6 39.25 0.38 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.015 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.5 109.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.4 t -93.78 126.1 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -146.04 164.48 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.019 0.438 . . . . 0.0 111.529 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.42 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -145.83 169.45 18.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.84 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.76 144.99 55.23 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.286 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.36 -168.05 0.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.889 2.393 . . . . 0.0 112.327 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 121.073 0.463 . . . . 0.0 111.113 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.427 ' H ' HG12 ' A' ' 2' ' ' VAL . 37.5 t -60.46 127.25 30.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.09 121.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -58.77 -39.89 82.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.42 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -36.22 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.681 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 m -74.72 -42.8 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.227 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -69.89 -36.36 75.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.146 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.76 -49.56 65.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.538 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -61.63 -46.54 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -39.93 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 109.897 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.7 t -63.99 -54.66 30.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.083 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -32.76 70.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -74.81 -18.12 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -96.25 22.17 8.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.29 52.2 5.74 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.917 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 39.1 m-85 -132.54 179.15 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.792 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -112.34 -50.55 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.048 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -146.27 -174.04 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.12 161.68 28.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 138.76 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 35.3 t -91.53 109.92 21.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 24' ' ' ASN . 14.0 mt -84.75 157.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' HG22 ' A' ' 23' ' ' ILE . 20.6 p30 -39.39 -27.67 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.51 34.29 0.45 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.769 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -177.83 119.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.88 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.1 t -88.5 107.92 19.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.596 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -85.57 160.64 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.1 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.6 m -136.48 162.09 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -140.9 100.82 6.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.024 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.513 ' O ' ' O ' ' A' ' 32' ' ' TYR . 32.8 Cg_endo -66.44 -58.34 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.254 1.969 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.57 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.202 0.601 . . . . 0.0 112.56 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.782 0.325 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.3 t -69.41 118.96 12.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.33 141.69 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.1 -44.19 76.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -68.52 -39.35 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -70.65 -39.92 73.33 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 109.738 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.3 t -68.72 -35.92 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.079 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.58 -50.79 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -62.82 -40.63 98.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.716 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -58.89 -52.56 65.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.684 179.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.4 t -63.97 -42.83 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.59 -37.63 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -98.74 23.96 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.003 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.89 29.59 6.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.28 41.14 99.74 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.652 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 46.4 m-85 -128.24 174.24 9.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -44.06 7.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.098 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' TYR . 25.2 p -154.32 146.38 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.85 160.64 17.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -159.27 137.94 10.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -79.56 107.12 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.664 HD12 ' HB2' ' A' ' 28' ' ' LYS . 4.8 mt -128.09 141.88 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 50.47 53.46 12.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.081 0.467 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 p30 46.16 29.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.187 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.64 128.96 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.013 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.81 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.664 ' HB2' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -88.62 162.57 16.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -129.88 163.25 26.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.566 ' OH ' HD11 ' A' ' 23' ' ' ILE . 38.3 m-85 -141.99 109.51 5.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 72.6 Cg_endo -76.51 -45.56 0.19 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.632 2.221 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.696 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.072 0.463 . . . . 0.0 111.095 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.443 ' H ' HG12 ' A' ' 2' ' ' VAL . 53.4 t -74.32 120.04 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.428 HG11 ' OG1' ' A' ' 7' ' ' THR . 5.7 t -78.19 132.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -66.58 -53.04 38.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.833 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -34.48 75.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.2 m -73.92 -41.61 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 4.1 t -71.45 -33.62 69.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.034 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.69 -49.59 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.774 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -67.16 -39.78 86.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.138 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -61.49 -51.99 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 110.413 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.3 t -65.69 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.757 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -58.48 -36.18 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -68.94 -18.31 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -56.44 6.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.723 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.33 39.84 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -130.83 173.98 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.971 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HD2' ' CD1' ' A' ' 32' ' ' TYR . 1.1 mtp180 -96.35 -39.3 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.763 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.11 -179.68 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.18 159.83 26.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.68 146.34 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.509 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.0 t -102.63 100.61 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 22' ' ' CYS . 29.3 mm -133.95 158.7 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.491 ' N ' HG22 ' A' ' 23' ' ' ILE . 15.1 p30 46.04 29.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.513 0.673 . . . . 0.0 111.648 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.22 37.9 2.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.821 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.63 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.11 88.18 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.62 114.19 12.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 161.45 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -139.83 126.63 12.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.0 -168.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.435 2.09 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.924 0.392 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.49 126.71 30.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.84 150.54 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 3.9 t80 -63.46 -51.99 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -63.68 -34.45 77.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 m -73.22 -41.34 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 0.0 109.994 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.89 -38.37 79.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.96 -51.18 60.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -60.64 -44.99 95.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -58.12 -51.02 71.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.71 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.013 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.94 -34.49 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.62 10.02 32.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.608 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -112.02 30.82 6.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.765 179.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.81 45.3 96.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 32.1 m-85 -127.6 171.43 11.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -46.42 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -162.22 153.12 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.97 160.99 19.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 5.4 ttpp -154.95 124.1 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.474 ' O ' HD13 ' A' ' 23' ' ' ILE . 41.5 t -88.55 118.42 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.586 HG22 ' OD1' ' A' ' 24' ' ' ASN . 30.8 mm -134.24 134.54 55.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.586 ' OD1' HG22 ' A' ' 23' ' ' ILE . 24.1 m120 48.38 58.08 5.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.12 0.486 . . . . 0.0 110.88 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.31 29.48 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.29 104.38 7.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.5 106.77 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.41 162.66 15.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 m -134.17 160.94 36.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 30.6 m-85 -142.44 111.43 5.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' TYR . 96.1 Cg_endo -81.16 -43.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.766 2.311 . . . . 0.0 112.574 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.623 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.762 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER . . . . . 0 CA--C 1.522 -0.118 0 CA-C-O 121.083 0.468 . . . . 0.0 111.094 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' H ' HG12 ' A' ' 2' ' ' VAL . 45.0 t -79.39 119.84 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -102.32 129.46 53.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.759 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -69.9 -49.0 56.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.687 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -37.94 87.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.95 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -74.18 -43.06 58.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 110.347 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.97 -37.15 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.14 -51.36 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.49 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -46.7 88.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -56.22 -49.63 73.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.14 -36.2 74.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -47.93 76.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.563 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -68.67 -12.09 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -93.66 19.63 8.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.701 0.286 . . . . 0.0 111.363 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 58.7 2.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.056 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -138.7 157.98 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -54.67 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.104 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -143.01 -175.34 4.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.46 160.69 20.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.92 157.09 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 48.8 t -109.04 103.95 13.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.91 HD13 ' N ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -117.26 140.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.991 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.91 ' N ' HD13 ' A' ' 23' ' ' ILE . 79.4 m-20 51.09 54.05 11.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 48.62 28.06 1.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.108 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.08 119.27 20.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.0 t -88.0 137.29 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -147.71 124.68 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 162.47 18.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 143.67 43.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.92 -168.02 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.072 0 CA-C-O 121.027 0.441 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -57.04 125.26 21.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.2 125.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 21.2 t80 -60.44 -44.14 96.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.645 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -73.3 -40.38 64.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.3 m -71.26 -38.2 71.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.06 -43.88 66.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.253 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -62.78 -42.38 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.02 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -69.5 -48.85 59.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.498 -179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -56.41 -43.97 79.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 0.0 110.649 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -74.99 -49.01 21.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.924 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 2.0 ptmm? -59.23 -27.75 66.06 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.19 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -22.88 59.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -32.65 53.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.687 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.36 44.43 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.431 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.429 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 20.2 m-85 -117.34 163.2 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -93.42 -51.58 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m -138.64 166.71 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -143.43 160.13 27.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 1.5 mptt -154.26 120.61 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 11.9 t -91.18 107.62 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' A' ' 26' ' ' ALA . 16.4 mt -76.79 154.95 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.409 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.6 m120 -44.61 -22.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -149.97 28.16 0.77 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' A' ' 23' ' ' ILE . . . -179.29 123.02 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.1 t -94.93 126.12 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.72 141.96 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -125.03 164.46 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -127.45 130.29 23.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 32' ' ' TYR . 73.9 Cg_endo -80.05 -50.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.522 2.148 . . . . 0.0 112.447 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.563 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.165 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER . . . . . 0 CA--C 1.522 -0.121 0 CA-C-O 121.159 0.504 . . . . 0.0 111.067 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.503 ' H ' HG12 ' A' ' 2' ' ' VAL . 51.3 t -72.6 126.83 30.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.81 123.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 2.3 t80 -62.52 -50.4 71.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -65.35 -37.59 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -42.88 57.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.027 0.441 . . . . 0.0 110.448 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.85 -33.85 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.23 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.0 -50.49 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -52.9 56.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.215 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.97 -49.4 73.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.512 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.35 -44.75 93.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.871 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -30.08 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.49 -19.01 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -72.19 -56.88 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.914 0.387 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.85 39.54 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 56.4 m-85 -128.97 172.98 10.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -105.95 -46.42 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.88 -172.8 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.4 167.33 26.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 1.7 mttm -169.6 154.98 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.508 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.4 t -108.08 108.64 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.941 0.4 . . . . 0.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.705 HG22 ' OD1' ' A' ' 24' ' ' ASN . 25.9 mm -128.86 141.02 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.705 ' OD1' HG22 ' A' ' 23' ' ' ILE . 1.8 m-20 47.97 58.67 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 110.968 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 45.9 29.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.32 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.57 118.68 15.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -87.1 104.43 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HE3' ' CZ ' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -97.51 125.65 42.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -103.51 164.22 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 71.7 m-85 -124.97 105.51 29.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.29 177.51 4.48 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.421 2.081 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER . . . . . 0 CA--C 1.521 -0.148 0 CA-C-O 121.13 0.491 . . . . 0.0 111.109 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 2' ' ' VAL . 54.1 t -72.67 125.22 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.45 120.28 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.24 -43.06 96.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.299 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -37.69 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.623 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -74.99 -42.55 57.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.24 -33.43 69.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.21 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.0 -49.74 55.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.377 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -49.66 74.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.736 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.58 -51.1 69.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.16 -44.16 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -36.54 75.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.563 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -94.22 19.06 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -120.07 37.02 4.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.34 25.05 69.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.613 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.65 158.78 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -45.15 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -177.39 164.16 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.96 159.97 19.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.594 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 22.7 mttm -141.47 138.66 33.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.799 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.569 ' O ' HD13 ' A' ' 23' ' ' ILE . 6.9 t -107.43 110.46 22.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.223 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 22' ' ' CYS . 31.4 mm -138.68 147.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 55.13 34.42 22.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.234 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 65.61 28.05 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.27 121.42 11.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.8 t -89.84 111.38 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 11.7 ttmt -101.94 124.6 47.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -79.05 163.08 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 84.5 m-85 -140.07 107.27 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.61 176.42 5.88 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.437 2.091 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.958 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.037 0.446 . . . . 0.0 111.064 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.421 ' H ' HG12 ' A' ' 2' ' ' VAL . 44.7 t -75.56 119.74 20.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 t -100.63 123.92 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -68.76 -42.16 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -36.63 81.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.575 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 4.2 m -74.07 -42.31 60.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.46 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.63 -38.3 80.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.378 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -66.4 -51.23 59.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.84 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -51.26 70.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -56.0 -50.53 70.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -64.6 -39.07 93.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -48.1 74.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.446 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.084 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.35 19.5 8.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.88 45.83 25.62 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.044 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -131.85 -177.41 4.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.462 ' N ' ' HA ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -111.77 -62.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -166.74 164.86 16.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -158.14 -166.13 16.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.82 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -147.82 165.24 31.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.63 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.13 109.07 20.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.621 HG22 ' OD1' ' A' ' 24' ' ' ASN . 3.8 mp -130.17 141.8 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.621 ' OD1' HG22 ' A' ' 23' ' ' ILE . 2.6 m120 49.42 54.95 10.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.107 0.48 . . . . 0.0 110.994 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 46.09 30.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.221 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.32 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -83.34 110.83 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 125.22 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.511 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 1.3 p -126.19 164.47 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 153.24 79.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.244 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HA ' ' N ' ' A' ' 18' ' ' ARG . 93.5 Cg_endo -83.72 -176.55 2.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.991 2.46 . . . . 0.0 112.356 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 3.0 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.805 0.336 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.79 118.52 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.6 t -99.95 120.77 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 20' ' ' GLY . 10.4 t80 -68.29 -45.76 72.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.78 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -66.71 -43.11 85.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 20.2 m -71.97 -39.54 69.27 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.033 0.445 . . . . 0.0 110.261 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 t -69.87 -41.71 74.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.275 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 17.2 t70 -62.42 -47.89 82.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.486 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -42.84 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -57.61 -51.41 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.745 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.37 -42.28 72.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -54.93 -38.75 68.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 110.636 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -68.2 -25.61 65.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.29 -42.78 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.0 44.19 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.373 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -130.92 175.86 8.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -120.43 -31.69 4.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 19.7 m -152.15 179.67 8.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 111.503 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 173.26 160.65 22.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -146.99 170.99 15.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 111.03 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -107.51 88.15 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 tp -103.05 138.22 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 51.9 44.81 29.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 59.98 28.01 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.824 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.49 128.22 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -87.6 104.16 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 128.6 54.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -118.41 151.36 37.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -129.02 142.85 46.57 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -86.57 175.18 5.45 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.856 2.371 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.866 0.365 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t -59.93 118.36 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -108.63 120.98 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.18 -38.97 93.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -37.92 82.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -73.51 -43.59 59.7 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.979 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 8.6 t -70.21 -36.33 74.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.226 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.64 -48.33 72.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.575 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HA ' ' HG3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -63.97 -46.05 86.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.74 -38.04 83.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.311 0.577 . . . . 0.0 110.092 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 6.4 t -68.99 -54.7 13.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -58.96 -29.76 67.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.786 0.327 . . . . 0.0 110.775 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -88.79 -11.34 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.291 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -97.26 23.68 7.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.82 44.2 63.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.7 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -129.96 178.83 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HB2' ' N ' ' A' ' 32' ' ' TYR . 10.5 tpt85 -100.58 -58.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.0 m -154.51 -175.9 5.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 111.181 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -166.98 166.28 39.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.631 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -152.7 149.45 28.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -91.88 96.82 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mt -126.73 144.98 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 54.29 37.38 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 63.89 28.65 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.82 134.48 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.8 t -82.76 88.59 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.09 120.37 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.686 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -109.61 137.22 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.58 -179.552 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.0 136.37 20.07 Favored Pre-proline 0 N--CA 1.454 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.49 155.13 16.17 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.421 ' N ' ' HB2' ' A' ' 18' ' ' ARG . 52.5 p90 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.966 0.412 . . . . 0.0 110.959 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.83 123.39 21.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 t -111.47 151.96 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.55 -48.95 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -36.84 85.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 85.1 m -74.02 -41.26 62.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.111 0.482 . . . . 0.0 110.194 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.78 -39.01 80.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.22 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.39 -49.88 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 2.9 mttp -62.24 -49.24 76.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.3 t0 -57.79 -43.63 85.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.174 0.512 . . . . 0.0 110.073 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.3 t -64.18 -52.2 60.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.494 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.15 -24.79 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.623 0.249 . . . . 0.0 111.063 -179.578 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -94.86 7.85 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.571 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -111.44 27.97 9.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.011 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 52.42 30.47 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.778 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 87.3 m-85 -135.68 176.24 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.315 . . . . 0.0 110.899 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 7.1 ptm180 -111.66 -26.83 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.216 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.57 164.04 35.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.69 160.42 31.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.278 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HD2' HD11 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -164.39 132.23 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 23' ' ' ILE . 41.9 t -89.72 113.92 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 21' ' ' LYS . 27.5 mm -130.91 138.16 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.645 ' OD1' HG22 ' A' ' 23' ' ' ILE . 1.8 m-20 48.06 58.27 5.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.152 0.501 . . . . 0.0 110.967 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.1 p30 46.05 29.95 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.217 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.3 109.55 8.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.62 105.66 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -89.23 161.14 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.8 m -137.14 162.9 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.266 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -140.8 111.54 6.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.46 -169.55 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.555 2.17 . . . . 0.0 112.445 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 18' ' ' ARG . 5.4 m-85 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.449 -0.501 0 CA-C-O 120.808 0.337 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 t -56.33 119.24 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.71 108.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.58 -39.23 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.417 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -41.1 88.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.6 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 19.6 m -73.56 -40.93 63.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.114 0.483 . . . . 0.0 110.118 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.1 -38.34 78.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 t0 -65.76 -51.64 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -52.82 63.5 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.3 t70 -53.88 -48.38 70.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.525 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.12 -33.6 73.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.758 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -57.06 -47.31 81.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.516 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.73 3.67 28.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.291 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -98.99 13.54 32.36 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.602 0.239 . . . . 0.0 111.369 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.67 50.64 5.54 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.055 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' A' ' 15' ' ' ARG . 34.2 m-85 -132.35 169.65 16.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.68 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.76 -54.85 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.265 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 t -161.89 156.79 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -153.96 -163.14 11.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.86 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 140.2 20.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -97.3 101.06 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.53 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 24' ' ' ASN . 27.6 mm -69.7 155.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.434 ' N ' HG22 ' A' ' 23' ' ' ILE . 19.5 m120 -40.83 -27.77 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.239 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.31 37.14 0.47 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.264 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.87 111.16 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 7.3 t -95.98 126.26 41.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -143.8 137.12 27.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 111.588 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -129.48 167.7 17.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.703 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -141.7 150.38 56.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.237 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.92 -172.63 1.59 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.79 2.327 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.976 0.417 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 t -61.24 140.65 57.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.035 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.86 130.52 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.77 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -62.17 -47.18 85.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.53 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.915 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -72.34 -40.16 67.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 t -69.48 -43.19 73.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.209 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -62.31 -46.15 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.643 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -39.41 87.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 7' ' ' THR . 2.0 t0 -58.9 -52.41 65.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.586 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.43 -44.06 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -55.78 -42.52 75.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -18.86 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -82.18 -53.75 5.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.57 37.31 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 12.3 m-85 -130.73 172.49 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -116.49 -31.93 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.442 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -144.96 -175.69 4.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.457 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 161.71 159.96 10.54 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.836 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -141.48 143.78 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.736 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 28.8 t -94.38 107.1 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 26' ' ' ALA . 19.3 mm -74.95 155.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.2 m120 -43.56 -23.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -150.9 30.41 0.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 23' ' ' ILE . . . -178.81 121.24 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.927 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.4 t -97.18 120.39 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.55 138.55 54.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.457 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -121.04 154.36 36.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -115.75 133.49 22.82 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 17' ' ' TYR . 83.6 Cg_endo -81.81 173.21 11.41 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.737 2.291 . . . . 0.0 112.439 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.522 -0.103 0 CA-C-O 121.046 0.451 . . . . 0.0 111.015 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.0 118.9 15.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.7 t -117.93 151.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' A' ' 21' ' ' LYS . 36.1 t80 -65.43 -46.58 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -34.92 77.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 88.3 m -73.69 -45.56 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -62.57 -43.84 97.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.066 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.5 t70 -62.41 -51.23 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.666 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -43.95 97.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -55.76 -50.05 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.849 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.59 -44.8 63.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.49 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -49.91 -50.42 46.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -64.47 -23.69 67.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HD2' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -72.47 -17.98 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.924 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.87 41.12 0.94 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' A' ' 15' ' ' ARG . 7.4 m-85 -120.8 178.86 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.034 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' CG ' ' OXT' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -91.68 -51.92 5.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' CYS . 19.9 m -152.06 161.93 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.183 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -140.27 162.31 26.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.655 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.805 ' HD3' HD11 ' A' ' 23' ' ' ILE . 16.3 tttp -164.31 127.62 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.574 ' O ' HD13 ' A' ' 23' ' ' ILE . 43.2 t -72.16 105.96 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.805 HD11 ' HD3' ' A' ' 21' ' ' LYS . 31.3 mm -126.62 140.84 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 49.84 53.69 12.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.079 0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 46.0 30.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.109 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.7 129.52 18.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.37 104.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -107.48 117.7 34.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.499 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 4.2 p -133.9 161.07 35.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 111.6 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.438 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -119.55 134.86 23.84 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.573 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' TYR . 87.6 Cg_endo -82.45 -43.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.888 2.392 . . . . 0.0 112.731 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.548 ' OXT' ' CG ' ' A' ' 32' ' ' TYR . 1.6 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.485 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.034 0.445 . . . . 0.0 111.072 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.457 ' H ' HG12 ' A' ' 2' ' ' VAL . 24.1 t -77.04 118.13 19.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.2 t -121.11 153.56 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.08 -48.39 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -37.61 85.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -72.5 -38.9 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.095 0.474 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -69.16 -43.81 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.134 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.62 -45.97 90.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.692 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 3.5 mttp -64.15 -45.2 89.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.041 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.17 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.195 0.521 . . . . 0.0 110.199 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.9 t -65.39 -54.14 33.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.403 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.8 -33.73 74.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.72 0.295 . . . . 0.0 111.107 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.8 1.44 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.395 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 7.4 mmt-85 -108.69 30.8 6.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.828 0.347 . . . . 0.0 110.723 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.33 40.3 98.85 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.416 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 15' ' ' ARG . 54.1 m-85 -130.21 -174.05 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.006 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -93.59 -64.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.409 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -167.4 160.83 13.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -140.09 -159.52 7.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.807 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -176.21 142.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.835 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.8 t -74.34 84.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 28' ' ' LYS . 1.5 tp -100.69 135.49 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.353 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 52.51 44.56 29.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 60.53 26.99 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.46 135.92 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -79.05 86.9 4.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HB2' HG22 ' A' ' 23' ' ' ILE . 1.2 tptp -81.34 110.69 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.712 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.489 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 7.7 t -98.12 157.88 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -133.66 133.72 22.76 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.783 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.16 -173.88 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.522 2.148 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.877 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 121.045 0.45 . . . . 1.22 111.047 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.418 ' H ' HG12 ' A' ' 2' ' ' VAL . 45.4 t -64.62 118.51 8.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.803 -0.635 . . . . 0.59 110.848 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -102.96 131.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.81 110.839 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.3 -45.4 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 1.8 111.512 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -69.51 -37.3 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 3.27 111.689 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -74.59 -41.6 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.88 110.304 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.32 -35.23 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.809 -0.632 . . . . 1.06 110.304 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.66 -49.53 58.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 1.44 110.693 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -62.8 -52.57 62.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 2.83 111.035 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -50.28 73.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 1.51 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.3 -37.51 87.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 1.19 110.682 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -59.43 -41.15 88.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 3.17 110.527 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -74.27 -6.2 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 3.61 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -96.0 22.48 7.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.741 0.305 . . . . 2.88 111.097 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.43 51.79 5.88 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.825 -0.702 . . . . 0.52 112.87 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 86.9 m-85 -136.79 171.45 14.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 1.4 110.66 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -103.14 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.44 -0.345 . . . . 3.54 111.226 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -130.52 176.17 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 1.57 111.217 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -163.43 160.42 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.84 112.469 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -154.42 163.38 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 3.29 111.002 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.49 ' O ' HD13 ' A' ' 23' ' ' ILE . 8.6 t -120.21 116.56 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.75 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.495 HG22 ' ND2' ' A' ' 24' ' ' ASN . 25.3 mm -130.83 125.92 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 2.74 111.385 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.495 ' ND2' HG22 ' A' ' 23' ' ' ILE . 65.8 m-20 47.32 59.56 4.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.116 0.484 . . . . 3.39 111.376 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 54.3 24.35 5.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.765 -0.652 . . . . 2.31 111.135 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 23' ' ' ILE . . . -128.65 103.3 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.71 110.936 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.3 t -86.41 109.85 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.89 111.111 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.61 162.18 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 3.17 110.73 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.28 164.82 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.96 111.069 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.39 99.82 9.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 1.8 110.875 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.59 -167.99 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.545 2.163 . . . . 1.15 112.308 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.257 -0.878 . . . . 4.11 110.888 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.821 0.344 . . . . 0.0 111.051 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -123.59 170.29 13.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.136 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 2' ' ' VAL . 46.0 t -68.66 119.67 13.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.958 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -99.67 116.97 44.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -61.34 -43.93 98.05 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.435 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.81 -37.61 86.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.691 -179.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 5.8 m -75.09 -42.72 56.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.027 0.441 . . . . 0.0 110.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 t -70.78 -33.78 71.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -68.9 -50.8 46.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.517 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.65 -49.49 76.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.757 179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.403 ' O ' ' HB2' ' A' ' 15' ' ' ARG . 1.4 t0 -56.43 -52.07 66.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.944 0.402 . . . . 0.0 110.321 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.1 t -56.76 -44.31 81.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.669 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -38.44 79.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.669 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.0 mtm180 -92.95 8.14 41.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.413 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 11' ' ' ASP . 2.0 ttt180 -104.26 27.07 8.11 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 120.771 0.319 . . . . 0.0 111.05 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 74.55 28.23 63.84 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.736 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -130.86 168.3 17.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.833 0.349 . . . . 0.0 110.765 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.7 -46.35 31.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.001 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 37.2 t -177.2 167.73 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.01 159.91 21.22 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.688 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -139.94 137.01 34.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.735 0.302 . . . . 0.0 110.732 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.564 ' O ' HD13 ' A' ' 23' ' ' ILE . 8.0 t -107.14 108.49 19.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.954 0.407 . . . . 0.0 111.177 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.564 HD13 ' O ' ' A' ' 22' ' ' CYS . 30.2 mm -137.43 147.83 26.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.907 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 55.47 33.32 20.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.162 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 66.53 28.11 9.5 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.008 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.3 122.28 12.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.941 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.532 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -90.39 108.76 19.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.147 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 2.5 ttmt -99.69 125.26 45.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.696 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -80.39 163.65 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.027 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE1' ' O ' ' A' ' 28' ' ' LYS . 77.7 m-85 -141.35 105.51 6.02 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.886 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -69.91 172.82 12.08 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.43 2.087 . . . . 0.0 112.363 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.882 -179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.791 0.329 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -141.99 167.96 15.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 121.021 0.439 . . . . 0.0 111.123 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 t -59.95 118.89 6.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.053 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 t -96.14 114.24 32.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.41 179.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.425 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 18.7 t80 -54.35 -53.33 55.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.036 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.4 -38.45 89.7 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.8 m -71.7 -38.21 70.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.088 0.471 . . . . 0.0 110.201 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.6 t -69.67 -43.91 71.58 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.277 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -46.94 87.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.695 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.0 mptt -65.81 -40.88 92.3 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.149 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.454 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -58.69 -51.6 69.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.939 0.4 . . . . 0.0 110.822 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.9 t -72.32 -41.62 66.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.228 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.41 -41.15 72.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 0.0 111.091 -179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.75 66.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.01 -54.52 7.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.858 0.361 . . . . 0.0 110.761 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 171.07 41.52 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.884 -0.675 . . . . 0.0 112.443 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 44.2 m-85 -131.31 177.44 7.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.788 0.327 . . . . 0.0 111.078 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.87 -38.82 2.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.39 -179.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.5 t -130.11 -171.72 2.6 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.861 0.362 . . . . 0.0 111.223 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 163.05 163.04 14.77 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.712 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 28.4 mttm -145.77 140.22 27.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.825 0.345 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 4.4 t -95.77 115.97 28.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.731 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 24' ' ' ASN . 20.5 mt -87.36 155.58 3.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.1 m120 -41.47 -26.69 0.07 Allowed 'General case' 0 N--CA 1.463 0.196 0 N-CA-C 112.408 0.521 . . . . 0.0 112.408 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.84 35.53 0.49 Allowed 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.406 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -175.92 111.58 0.11 Allowed 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.847 0.356 . . . . 0.0 111.911 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 4.7 t -97.45 118.1 33.18 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.656 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 ptpt -120.45 159.28 25.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.049 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HB2' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -126.45 163.32 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.735 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.8 m-85 -123.38 116.24 28.34 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.34 -78.43 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.328 2.019 . . . . 0.0 112.161 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.798 0.332 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -104.35 170.25 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.089 0.471 . . . . 0.0 111.13 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' H ' HG12 ' A' ' 2' ' ' VAL . 41.2 t -69.07 124.53 24.02 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.043 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.0 t -106.81 121.02 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.831 179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -61.16 -45.73 93.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.499 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 ttp180 -67.55 -37.86 83.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.779 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 2.1 m -73.08 -42.76 62.68 Favored 'General case' 0 CA--C 1.517 -0.302 0 CA-C-O 121.009 0.433 . . . . 0.0 110.122 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -70.83 -37.83 73.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.431 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.438 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 28.1 t70 -64.76 -47.51 77.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.97 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -68.25 -52.89 28.92 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.705 -179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.444 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -58.37 -39.07 78.58 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.103 0.478 . . . . 0.0 110.799 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.8 t -76.7 -44.42 33.6 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.109 -179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.478 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.29 -33.01 73.82 Favored 'General case' 0 C--N 1.333 -0.134 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.847 -179.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' N ' ' CD ' ' A' ' 13' ' ' LYS . 1.4 ptp85 -68.28 -11.97 60.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.178 179.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.415 ' HB2' ' CE1' ' A' ' 17' ' ' TYR . 4.0 mtt-85 -91.95 18.31 8.05 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.681 0.277 . . . . 0.0 111.282 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 75.38 50.55 8.17 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.961 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.419 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 42.3 m-85 -117.3 159.03 23.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.759 0.314 . . . . 0.0 110.7 179.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.06 -53.65 4.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.957 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.1 t -163.31 150.64 12.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.05 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -152.16 -160.79 9.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.641 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -165.75 164.02 18.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.856 0.36 . . . . 0.0 110.827 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 17.7 t -105.84 119.46 39.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.842 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.476 HG22 ' N ' ' A' ' 24' ' ' ASN . 27.5 mt -84.69 157.99 3.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.592 179.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.476 ' N ' HG22 ' A' ' 23' ' ' ILE . 68.9 m-80 -37.86 -30.57 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 112.269 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -155.6 39.25 0.38 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.015 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.5 109.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 112.041 0.386 . . . . 0.0 112.041 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.438 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.4 t -93.78 126.1 38.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.415 179.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptt -146.04 164.48 31.98 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.019 0.438 . . . . 0.0 111.529 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.42 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -145.83 169.45 18.53 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.84 179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -132.76 144.99 55.23 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.286 -179.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 83.1 Cg_endo -81.36 -168.05 0.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.889 2.393 . . . . 0.0 112.327 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.88 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.794 0.33 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.427 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -119.42 169.46 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.073 0.463 . . . . 0.0 111.113 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.427 ' H ' HG12 ' A' ' 2' ' ' VAL . 37.5 t -60.46 127.25 30.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.9 t -112.09 121.26 64.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.983 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -58.77 -39.89 82.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.42 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.52 -36.22 73.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.681 -179.432 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 m -74.72 -42.8 57.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.083 0.468 . . . . 0.0 110.227 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -69.89 -36.36 75.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.146 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -66.76 -49.56 65.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.538 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -61.63 -46.54 89.38 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.76 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -39.93 88.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.238 0.542 . . . . 0.0 109.897 179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.7 t -63.99 -54.66 30.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.353 -0.84 . . . . 0.0 111.083 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.19 -32.76 70.22 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -74.81 -18.12 60.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.022 179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -96.25 22.17 8.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.035 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.29 52.2 5.74 Favored Glycine 0 N--CA 1.448 -0.561 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.917 179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 39.1 m-85 -132.54 179.15 6.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.798 0.332 . . . . 0.0 110.792 179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -112.34 -50.55 2.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.048 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 35.6 m -146.27 -174.04 4.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.076 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -179.12 161.68 28.05 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.357 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -139.79 138.76 36.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 35.3 t -91.53 109.92 21.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 24' ' ' ASN . 14.0 mt -84.75 157.15 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.661 179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.433 ' N ' HG22 ' A' ' 23' ' ' ILE . 20.6 p30 -39.39 -27.67 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.51 34.29 0.45 Allowed 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.769 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -177.83 119.47 0.1 Allowed 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.865 -0.334 . . . . 0.0 111.88 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.485 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.1 t -88.5 107.92 19.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.847 0.356 . . . . 0.0 110.596 179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -85.57 160.64 19.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.1 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.6 m -136.48 162.09 34.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.838 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -140.9 100.82 6.49 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.024 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.513 ' O ' ' O ' ' A' ' 32' ' ' TYR . 32.8 Cg_endo -66.44 -58.34 0.17 Allowed 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.254 1.969 . . . . 0.0 112.336 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.57 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.994 0 C-N-CA 123.202 0.601 . . . . 0.0 112.56 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.858 0.361 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.36 152.81 15.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 35.3 t -69.41 118.96 12.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -110.33 141.69 24.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.061 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -68.1 -44.19 76.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -68.52 -39.35 81.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.04 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 m -70.65 -39.92 73.33 Favored 'General case' 0 CA--C 1.518 -0.27 0 CA-C-O 121.214 0.531 . . . . 0.0 109.738 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.3 t -68.72 -35.92 77.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.079 179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -65.58 -50.79 63.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.489 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 0.2 OUTLIER -62.82 -40.63 98.0 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.716 179.734 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -58.89 -52.56 65.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.684 179.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 9.4 t -63.97 -42.83 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.725 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -57.59 -37.63 73.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.672 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 17.0 mmt180 -98.74 23.96 8.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.003 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.89 29.59 6.75 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.872 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.28 41.14 99.74 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.652 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CD1' ' HB3' ' A' ' 29' ' ' CYS . 46.4 m-85 -128.24 174.24 9.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.752 0.311 . . . . 0.0 110.898 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -95.55 -44.06 7.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.098 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 30' ' ' TYR . 25.2 p -154.32 146.38 23.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 111.098 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.85 160.64 17.31 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.43 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -159.27 137.94 10.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.833 0.349 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 53.8 t -79.56 107.12 12.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.944 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.664 HD12 ' HB2' ' A' ' 28' ' ' LYS . 4.8 mt -128.09 141.88 45.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.957 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 50.47 53.46 12.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.081 0.467 . . . . 0.0 110.927 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.8 p30 46.16 29.63 0.84 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.187 -179.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.64 128.96 18.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.013 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 49.7 t -63.81 106.47 1.0 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.886 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.664 ' HB2' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -88.62 162.57 16.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.407 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -129.88 163.25 26.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.175 -179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.566 ' OH ' HD11 ' A' ' 23' ' ' ILE . 38.3 m-85 -141.99 109.51 5.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 32' ' ' TYR . 72.6 Cg_endo -76.51 -45.56 0.19 Allowed 'Trans proline' 0 C--N 1.348 0.517 0 C-N-CA 122.632 2.221 . . . . 0.0 112.493 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.471 ' C ' ' O ' ' A' ' 31' ' ' PRO . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.245 -0.883 . . . . 0.0 112.696 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.819 0.342 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.443 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -101.83 169.29 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.072 0.463 . . . . 0.0 111.095 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.443 ' H ' HG12 ' A' ' 2' ' ' VAL . 53.4 t -74.32 120.04 19.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.974 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.428 HG11 ' OG1' ' A' ' 7' ' ' THR . 5.7 t -78.19 132.5 32.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.971 0.415 . . . . 0.0 110.708 179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -66.58 -53.04 38.9 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.833 -179.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -34.48 75.78 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.453 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.2 m -73.92 -41.61 61.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.909 0.385 . . . . 0.0 110.505 -179.489 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 4' ' ' VAL . 4.1 t -71.45 -33.62 69.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.034 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -67.69 -49.59 61.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.774 179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 7' ' ' THR . 0.0 OUTLIER -67.16 -39.78 86.56 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.515 -0.312 . . . . 0.0 111.138 -179.783 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.453 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.2 t70 -61.49 -51.99 66.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.405 . . . . 0.0 110.413 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.3 t -65.69 -43.72 88.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.757 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.7 mtpt -58.48 -36.18 73.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -68.94 -18.31 64.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.248 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -71.16 -56.44 6.08 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.904 0.383 . . . . 0.0 110.723 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 169.33 39.84 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.486 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -130.83 173.98 10.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.902 0.382 . . . . 0.0 110.971 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.434 ' HD2' ' CD1' ' A' ' 32' ' ' TYR . 1.1 mtp180 -96.35 -39.3 9.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.763 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.11 -179.68 7.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.852 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -177.18 159.83 26.38 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.495 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -146.68 146.34 30.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.509 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.0 t -102.63 100.61 10.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.898 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 22' ' ' CYS . 29.3 mm -133.95 158.7 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.065 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.491 ' N ' HG22 ' A' ' 23' ' ' ILE . 15.1 p30 46.04 29.73 0.82 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.513 0.673 . . . . 0.0 111.648 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 69.22 37.9 2.01 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.792 -1.095 . . . . 0.0 110.821 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -151.93 132.63 14.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -88.11 88.18 7.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.724 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.62 114.19 12.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.974 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.54 161.45 13.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -139.83 126.63 12.43 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 67.3 Cg_endo -74.0 -168.0 0.43 Allowed 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.435 2.09 . . . . 0.0 112.33 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.434 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.245 -0.884 . . . . 0.0 110.902 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.828 0.346 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -123.84 167.66 17.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.038 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.2 t -67.49 126.71 30.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.894 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -112.84 150.54 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.425 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 3.9 t80 -63.46 -51.99 63.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 5.5 ttm180 -63.68 -34.45 77.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.134 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.1 m -73.22 -41.34 63.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.16 0.505 . . . . 0.0 109.994 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 50.1 t -68.89 -38.37 79.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.295 179.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -65.96 -51.18 60.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.729 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' ASP . 1.0 OUTLIER -60.64 -44.99 95.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -58.12 -51.02 71.43 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.927 0.394 . . . . 0.0 110.515 179.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 t -62.71 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.013 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.94 -34.49 73.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.988 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.62 10.02 32.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.608 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.431 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -112.02 30.82 6.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.832 0.349 . . . . 0.0 110.765 179.793 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 60.81 45.3 96.75 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.595 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.431 ' CD2' ' HB3' ' A' ' 15' ' ' ARG . 32.1 m-85 -127.6 171.43 11.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.854 0.359 . . . . 0.0 110.969 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.99 -46.42 11.23 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -162.22 153.12 17.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.97 160.99 19.59 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.443 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.425 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 5.4 ttpp -154.95 124.1 6.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.347 . . . . 0.0 110.926 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.474 ' O ' HD13 ' A' ' 23' ' ' ILE . 41.5 t -88.55 118.42 28.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.942 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.586 HG22 ' OD1' ' A' ' 24' ' ' ASN . 30.8 mm -134.24 134.54 55.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.802 179.874 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.586 ' OD1' HG22 ' A' ' 23' ' ' ILE . 24.1 m120 48.38 58.08 5.56 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.12 0.486 . . . . 0.0 110.88 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 47.31 29.48 1.27 Allowed 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.2 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -131.29 104.38 7.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.966 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.9 t -66.5 106.77 1.85 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -90.41 162.66 15.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.403 ' O ' ' CD1' ' A' ' 30' ' ' TYR . 1.1 m -134.17 160.94 36.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.165 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.483 ' HB3' ' CE1' ' A' ' 32' ' ' TYR . 30.6 m-85 -142.44 111.43 5.91 Favored Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.931 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.459 ' O ' ' C ' ' A' ' 32' ' ' TYR . 96.1 Cg_endo -81.16 -43.64 0.1 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.766 2.311 . . . . 0.0 112.574 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.623 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.996 0 CA-C-N 115.27 -0.877 . . . . 0.0 112.762 -179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.831 0.348 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.445 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER -117.65 169.39 8.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.083 0.468 . . . . 0.0 111.094 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' H ' HG12 ' A' ' 2' ' ' VAL . 45.0 t -79.39 119.84 22.98 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.152 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 t -102.32 129.46 53.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.759 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -69.9 -49.0 56.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.687 -179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.1 -37.94 87.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.95 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.431 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.7 m -74.18 -43.06 58.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.02 0.438 . . . . 0.0 110.347 -179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.97 -37.15 75.7 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.216 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -65.14 -51.36 61.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.49 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.64 -46.7 88.66 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.431 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -56.22 -49.63 73.59 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.85 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.8 t -70.14 -36.2 74.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -47.93 76.48 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.879 0.371 . . . . 0.0 110.563 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -68.67 -12.09 60.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.117 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttp180 -93.66 19.63 8.42 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.701 0.286 . . . . 0.0 111.363 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 80.09 58.7 2.73 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.799 -0.715 . . . . 0.0 113.056 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -138.7 157.98 45.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 0.0 110.637 179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.81 -54.67 3.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.104 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 23.0 t -143.01 -175.34 4.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.356 . . . . 0.0 111.196 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.46 160.69 20.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.472 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -150.92 157.09 42.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.782 0.325 . . . . 0.0 110.94 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 48.8 t -109.04 103.95 13.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.91 HD13 ' N ' ' A' ' 24' ' ' ASN . 0.1 OUTLIER -117.26 140.42 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.991 -179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.91 ' N ' HD13 ' A' ' 23' ' ' ILE . 79.4 m-20 51.09 54.05 11.91 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.077 0.465 . . . . 0.0 110.829 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 48.62 28.06 1.68 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.61 -0.723 . . . . 0.0 111.108 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -132.08 119.27 20.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.0 t -88.0 137.29 32.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.941 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -147.71 124.68 11.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -119.03 162.47 18.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.647 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -137.0 143.67 43.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.129 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -79.92 -168.02 0.58 Allowed 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.688 2.258 . . . . 0.0 112.34 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.822 0.344 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.56 168.36 13.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.043 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.8 t -57.04 125.26 21.85 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 13.3 t -106.2 125.14 61.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.82 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 21' ' ' LYS . 21.2 t80 -60.44 -44.14 96.1 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.645 -179.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.8 ttp180 -73.3 -40.38 64.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.341 -0.391 . . . . 0.0 112.05 -179.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.3 m -71.26 -38.2 71.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.105 0.479 . . . . 0.0 110.216 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.3 t -71.06 -43.88 66.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.253 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -62.78 -42.38 99.67 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.02 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HA ' ' CD ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -69.5 -48.85 59.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.498 -179.654 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -56.41 -43.97 79.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.03 0.443 . . . . 0.0 110.649 179.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.0 t -74.99 -49.01 21.33 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.924 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CD ' ' HA ' ' A' ' 10' ' ' LYS . 2.0 ptmm? -59.23 -27.75 66.06 Favored 'General case' 0 C--N 1.333 -0.132 0 C-N-CA 120.95 -0.3 . . . . 0.0 111.19 -179.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -74.08 -22.88 59.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.037 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -77.67 -32.65 53.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.895 0.379 . . . . 0.0 110.687 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.36 44.43 0.07 OUTLIER Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.431 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.429 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 20.2 m-85 -117.34 163.2 16.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.852 0.358 . . . . 0.0 111.095 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.417 ' HG3' ' CD2' ' A' ' 32' ' ' TYR . 0.5 OUTLIER -93.42 -51.58 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.036 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m -138.64 166.71 23.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.12 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -143.43 160.13 27.6 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.522 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HA ' ' CE2' ' A' ' 5' ' ' TYR . 1.5 mptt -154.26 120.61 5.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 0.0 110.942 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 11.9 t -91.18 107.62 19.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.824 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.422 ' HB ' ' O ' ' A' ' 26' ' ' ALA . 16.4 mt -76.79 154.95 5.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.637 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.409 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.6 m120 -44.61 -22.2 0.07 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -179.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -149.97 28.16 0.77 Allowed 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.422 ' O ' ' HB ' ' A' ' 23' ' ' ILE . . . -179.29 123.02 0.08 Allowed 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.1 t -94.93 126.12 40.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.565 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -136.72 141.96 43.07 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.096 -179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.5 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.0 OUTLIER -125.03 164.46 20.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.761 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.432 ' CD1' ' N ' ' A' ' 30' ' ' TYR . 0.3 OUTLIER -127.45 130.29 23.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.996 -179.774 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.479 ' O ' ' O ' ' A' ' 32' ' ' TYR . 73.9 Cg_endo -80.05 -50.03 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.522 2.148 . . . . 0.0 112.447 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.563 ' O ' ' CG ' ' A' ' 32' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.767 -0.652 . . . . 0.0 112.165 179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.787 0.327 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -96.37 170.25 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.159 0.504 . . . . 0.0 111.067 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.503 ' H ' HG12 ' A' ' 2' ' ' VAL . 51.3 t -72.6 126.83 30.82 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.133 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 5.3 t -96.81 123.21 49.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.69 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.423 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 2.3 t80 -62.52 -50.4 71.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.476 -179.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 ttm180 -65.35 -37.59 87.53 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.2 m -74.75 -42.88 57.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.027 0.441 . . . . 0.0 110.448 -179.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.85 -33.85 68.77 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.23 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -68.0 -50.49 55.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.571 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.32 -52.9 56.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.215 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.97 -49.4 73.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.02 0.438 . . . . 0.0 110.512 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.4 t -63.35 -44.75 93.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.871 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.99 -30.08 70.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.462 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 ttp85 -71.49 -19.01 62.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 9.1 ttp180 -72.19 -56.88 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.914 0.387 . . . . 0.0 110.783 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 170.85 39.54 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 56.4 m-85 -128.97 172.98 10.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.878 0.371 . . . . 0.0 111.009 -179.792 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt-85 -105.95 -46.42 4.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.917 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.88 -172.8 2.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 166.4 167.33 26.89 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.672 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HG3' ' CE1' ' A' ' 5' ' ' TYR . 1.7 mttm -169.6 154.98 5.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.711 0.291 . . . . 0.0 110.693 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.508 ' O ' HD13 ' A' ' 23' ' ' ILE . 2.4 t -108.08 108.64 19.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.941 0.4 . . . . 0.0 111.053 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.705 HG22 ' OD1' ' A' ' 24' ' ' ASN . 25.9 mm -128.86 141.02 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.871 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.705 ' OD1' HG22 ' A' ' 23' ' ' ILE . 1.8 m-20 47.97 58.67 4.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.069 0.461 . . . . 0.0 110.968 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 45.9 29.76 0.78 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.32 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.57 118.68 15.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.986 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.9 t -87.1 104.43 16.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.031 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.44 ' HE3' ' CZ ' ' A' ' 30' ' ' TYR . 0.0 OUTLIER -97.51 125.65 42.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.75 179.895 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -103.51 164.22 11.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.153 -179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.44 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 71.7 m-85 -124.97 105.51 29.23 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.857 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.29 177.51 4.48 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.421 2.081 . . . . 0.0 112.304 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.823 0.344 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.502 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.6 OUTLIER -125.85 170.31 16.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.13 0.491 . . . . 0.0 111.109 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.502 ' H ' HG12 ' A' ' 2' ' ' VAL . 54.1 t -72.67 125.22 26.97 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 11.3 t -104.45 120.28 54.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.939 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -64.24 -43.06 96.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.299 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -37.69 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.623 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.4 m -74.99 -42.55 57.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.24 -33.43 69.83 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.21 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.0 -49.74 55.14 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.377 179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.13 -49.66 74.97 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.736 179.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.58 -51.1 69.91 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.35 179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.0 t -58.16 -44.16 87.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.544 179.496 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.39 -36.54 75.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.563 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mtm180 -94.22 19.06 9.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.218 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -120.07 37.02 4.34 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.844 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 64.34 25.05 69.61 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.613 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -124.65 158.78 32.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.787 0.327 . . . . 0.0 110.888 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.97 -45.15 64.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.952 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.2 t -177.39 164.16 2.09 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -124.96 159.97 19.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.594 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.409 ' HG3' ' CE1' ' A' ' 30' ' ' TYR . 22.7 mttm -141.47 138.66 33.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.73 0.3 . . . . 0.0 110.799 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.569 ' O ' HD13 ' A' ' 23' ' ' ILE . 6.9 t -107.43 110.46 22.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.223 -179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.569 HD13 ' O ' ' A' ' 22' ' ' CYS . 31.4 mm -138.68 147.58 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 55.13 34.42 22.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.234 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 65.61 28.05 11.35 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.952 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.27 121.42 11.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.941 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.8 t -89.84 111.38 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.133 -179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' O ' ' CE1' ' A' ' 30' ' ' TYR . 11.7 ttmt -101.94 124.6 47.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.845 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -79.05 163.08 25.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.968 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.409 ' CE1' ' HG3' ' A' ' 21' ' ' LYS . 84.5 m-85 -140.07 107.27 6.81 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.953 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 47.4 Cg_endo -68.61 176.42 5.88 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.437 2.091 . . . . 0.0 112.373 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.3 t80 . . . . . 0 C--O 1.248 1.006 0 CA-C-O 118.25 -0.881 . . . . 0.0 110.958 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.805 0.336 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -94.02 169.31 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.064 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.421 ' H ' HG12 ' A' ' 2' ' ' VAL . 44.7 t -75.56 119.74 20.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.86 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 7.1 t -100.63 123.92 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.071 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -68.76 -42.16 77.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.177 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.56 -36.63 81.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.575 -179.506 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.407 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 4.2 m -74.07 -42.31 60.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.067 0.46 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.5 t -68.63 -38.3 80.41 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.378 179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -66.4 -51.23 59.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.84 179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -60.91 -51.26 70.02 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.177 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.407 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.8 OUTLIER -56.0 -50.53 70.61 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.682 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.2 t -64.6 -39.07 93.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.731 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.36 -48.1 74.77 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.921 0.391 . . . . 0.0 110.446 179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.16 -11.17 60.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.084 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.35 19.5 8.18 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.55 -0.295 . . . . 0.0 111.182 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 73.88 45.83 25.62 Favored Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.886 -0.673 . . . . 0.0 113.044 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -131.85 -177.41 4.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 0.0 110.852 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.462 ' N ' ' HA ' ' A' ' 31' ' ' PRO . 0.0 OUTLIER -111.77 -62.86 1.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.268 -179.665 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.3 m -166.74 164.86 16.63 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.212 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.511 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -158.14 -166.13 16.82 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.82 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -147.82 165.24 31.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.744 0.307 . . . . 0.0 110.63 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.13 109.07 20.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.98 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.621 HG22 ' OD1' ' A' ' 24' ' ' ASN . 3.8 mp -130.17 141.8 45.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.969 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.621 ' OD1' HG22 ' A' ' 23' ' ' ILE . 2.6 m120 49.42 54.95 10.1 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.107 0.48 . . . . 0.0 110.994 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 p-10 46.09 30.25 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.221 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -142.01 120.32 12.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.024 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.2 t -83.34 110.83 18.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.949 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.93 125.22 53.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.948 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.511 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 1.3 p -126.19 164.47 20.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -134.14 153.24 79.47 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.244 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.462 ' HA ' ' N ' ' A' ' 18' ' ' ARG . 93.5 Cg_endo -83.72 -176.55 2.75 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.991 2.46 . . . . 0.0 112.356 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CD1' ' HD2' ' A' ' 18' ' ' ARG . 3.0 m-85 . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.873 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.314 0 CA-C-O 120.814 0.34 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.35 152.62 15.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 49.8 t -65.79 118.52 9.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.6 t -99.95 120.77 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.908 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.407 ' CE2' ' O ' ' A' ' 20' ' ' GLY . 10.4 t80 -68.29 -45.76 72.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.78 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -66.71 -43.11 85.2 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -179.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.422 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 20.2 m -71.97 -39.54 69.27 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.033 0.445 . . . . 0.0 110.261 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 22.5 t -69.87 -41.71 74.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.275 179.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 13' ' ' LYS . 17.2 t70 -62.42 -47.89 82.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.486 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.74 -42.84 94.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.422 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.5 OUTLIER -57.61 -51.41 69.63 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.745 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.7 t -70.37 -42.28 72.0 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.104 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HB3' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -54.93 -38.75 68.06 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.867 0.365 . . . . 0.0 110.636 179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -68.2 -25.61 65.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.929 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -75.29 -42.78 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 0.0 110.596 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 154.0 44.19 0.02 OUTLIER Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.373 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -130.92 175.86 8.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.781 0.324 . . . . 0.0 111.109 -179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.0 OUTLIER -120.43 -31.69 4.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.686 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.406 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 19.7 m -152.15 179.67 8.3 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.928 0.394 . . . . 0.0 111.503 -179.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.421 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 173.26 160.65 22.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.969 -0.634 . . . . 0.0 112.404 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 2.2 mtmt -146.99 170.99 15.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.861 0.363 . . . . 0.0 111.03 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -107.51 88.15 2.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.715 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 tp -103.05 138.22 28.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.428 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 67.4 m-20 51.9 44.81 29.12 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.235 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 59.98 28.01 17.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.824 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -136.49 128.22 29.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.976 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 2.6 t -87.6 104.16 16.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.994 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.06 128.6 54.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.735 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.421 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -118.41 151.36 37.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.94 179.914 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -129.02 142.85 46.57 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.998 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -86.57 175.18 5.45 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.856 2.371 . . . . 0.0 112.465 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.871 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -113.63 157.22 14.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t -59.93 118.36 6.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.6 t -108.63 120.98 60.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.062 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.2 t80 -63.18 -38.97 93.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.225 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -37.92 82.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.515 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.2 m -73.51 -43.59 59.7 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.065 0.46 . . . . 0.0 109.979 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.431 ' O ' ' HB2' ' A' ' 12' ' ' CYS . 8.6 t -70.21 -36.33 74.49 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.226 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -65.64 -48.33 72.54 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.575 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HA ' ' HG3' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -63.97 -46.05 86.38 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.846 179.871 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -60.74 -38.04 83.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.311 0.577 . . . . 0.0 110.092 179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.431 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 6.4 t -68.99 -54.7 13.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.294 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' HG3' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -58.96 -29.76 67.4 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.786 0.327 . . . . 0.0 110.775 -179.807 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -88.79 -11.34 45.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.291 179.694 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -97.26 23.68 7.22 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.792 0.329 . . . . 0.0 110.95 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.82 44.2 63.41 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.7 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -129.96 178.83 6.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.774 0.321 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.421 ' HB2' ' N ' ' A' ' 32' ' ' TYR . 10.5 tpt85 -100.58 -58.67 1.85 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.161 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 66.0 m -154.51 -175.9 5.64 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.851 0.358 . . . . 0.0 111.181 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -166.98 166.28 39.07 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.631 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.1 mtpt -152.7 149.45 28.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.768 0.318 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -91.88 96.82 10.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.884 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 5.4 mt -126.73 144.98 35.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.061 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 65.3 m-20 54.29 37.38 27.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 63.89 28.65 14.62 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -146.82 134.48 21.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.051 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 1.8 t -82.76 88.59 6.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.09 120.37 19.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.686 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.473 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 0.8 OUTLIER -109.61 137.22 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.58 -179.552 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.0 136.37 20.07 Favored Pre-proline 0 N--CA 1.454 -0.243 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.575 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -82.49 155.13 16.17 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.7 2.266 . . . . 0.0 112.325 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.421 ' N ' ' HB2' ' A' ' 18' ' ' ARG . 52.5 p90 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.222 -0.894 . . . . 0.0 110.96 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.831 0.348 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -102.4 167.62 2.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.959 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.7 t -69.83 123.39 21.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.866 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 16.0 t -111.47 151.96 13.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.012 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -65.55 -48.95 70.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.29 -36.84 85.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.197 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 85.1 m -74.02 -41.26 62.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.111 0.482 . . . . 0.0 110.194 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.78 -39.01 80.42 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.22 179.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -66.39 -49.88 65.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.96 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 13' ' ' LYS . 2.9 mttp -62.24 -49.24 76.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.881 0.372 . . . . 0.0 111.113 -179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.3 t0 -57.79 -43.63 85.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.174 0.512 . . . . 0.0 110.073 179.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.3 t -64.18 -52.2 60.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.463 -0.789 . . . . 0.0 111.494 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -63.15 -24.79 68.05 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.623 0.249 . . . . 0.0 111.063 -179.578 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HG2' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -94.86 7.85 44.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.52 -0.309 . . . . 0.0 111.571 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.419 ' HB3' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -111.44 27.97 9.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.863 0.363 . . . . 0.0 111.011 179.665 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 67.55 52.42 30.47 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.778 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 87.3 m-85 -135.68 176.24 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.315 . . . . 0.0 110.899 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.423 ' HB3' ' CE2' ' A' ' 32' ' ' TYR . 7.1 ptm180 -111.66 -26.83 8.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.216 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -148.57 164.04 35.43 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.984 0.421 . . . . 0.0 111.117 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -158.69 160.42 31.04 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.278 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.65 ' HD2' HD11 ' A' ' 23' ' ' ILE . 0.3 OUTLIER -164.39 132.23 3.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.799 0.333 . . . . 0.0 111.067 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 23' ' ' ILE . 41.9 t -89.72 113.92 25.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.65 HD11 ' HD2' ' A' ' 21' ' ' LYS . 27.5 mm -130.91 138.16 54.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.645 ' OD1' HG22 ' A' ' 23' ' ' ILE . 1.8 m-20 48.06 58.27 5.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.152 0.501 . . . . 0.0 110.967 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 16.1 p30 46.05 29.95 0.85 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.217 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -134.3 109.55 8.9 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 42.8 t -67.62 105.66 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 21.3 tttt -89.23 161.14 16.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.841 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.428 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 1.8 m -137.14 162.9 32.15 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.266 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -140.8 111.54 6.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.699 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -79.46 -169.55 0.82 Allowed 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 122.555 2.17 . . . . 0.0 112.445 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 18' ' ' ARG . 5.4 m-85 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.878 0.37 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.41 HG22 ' H ' ' A' ' 2' ' ' VAL . 3.3 m -64.84 164.21 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.336 -179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 23.3 t -56.33 119.24 5.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 10.3 t -97.71 108.5 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.89 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -59.58 -39.23 83.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.417 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.83 -41.1 88.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.6 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 19.6 m -73.56 -40.93 63.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.114 0.483 . . . . 0.0 110.118 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.9 t -69.1 -38.34 78.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.23 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 25.6 t0 -65.76 -51.64 57.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.757 179.717 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.73 -52.82 63.5 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.113 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.419 ' HB2' ' O ' ' A' ' 7' ' ' THR . 1.3 t70 -53.88 -48.38 70.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.525 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 t -69.12 -33.6 73.72 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.758 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -57.06 -47.31 81.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.93 0.395 . . . . 0.0 110.339 179.516 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -82.73 3.67 28.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.291 179.661 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.416 ' HB3' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -98.99 13.54 32.36 Favored 'General case' 0 CA--C 1.529 0.158 0 CA-C-O 120.602 0.239 . . . . 0.0 111.369 179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 79.67 50.64 5.54 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.777 -0.725 . . . . 0.0 113.055 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.416 ' CE1' ' HB3' ' A' ' 15' ' ' ARG . 34.2 m-85 -132.35 169.65 16.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.696 0.284 . . . . 0.0 110.68 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -105.76 -54.85 2.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.265 -179.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 t -161.89 156.79 22.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.801 0.334 . . . . 0.0 111.042 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -153.96 -163.14 11.61 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.609 -0.805 . . . . 0.0 112.86 -179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.56 140.2 20.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.83 0.348 . . . . 0.0 110.879 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 0.1 OUTLIER -97.3 101.06 12.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.53 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 24' ' ' ASN . 27.6 mm -69.7 155.71 7.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.667 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.434 ' N ' HG22 ' A' ' 23' ' ' ILE . 19.5 m120 -40.83 -27.77 0.06 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.239 -179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -153.31 37.14 0.47 Allowed 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.264 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -173.87 111.16 0.17 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.872 0.368 . . . . 0.0 111.9 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 7.3 t -95.98 126.26 41.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 tptt -143.8 137.12 27.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.9 0.381 . . . . 0.0 111.588 -179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.45 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -129.48 167.7 17.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.703 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -141.7 150.38 56.81 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.237 -179.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.92 -172.63 1.59 Allowed 'Trans proline' 0 C--N 1.345 0.342 0 C-N-CA 122.79 2.327 . . . . 0.0 112.279 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.315 0 CA-C-O 120.846 0.355 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -114.22 168.03 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 34.6 t -61.24 140.65 57.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.035 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.86 130.52 74.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.77 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -62.17 -47.18 85.65 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.222 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -39.53 76.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.915 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 1.4 m -72.34 -40.16 67.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.078 0.466 . . . . 0.0 110.295 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.2 t -69.48 -43.19 73.7 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.209 179.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -62.31 -46.15 90.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.643 179.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -39.41 87.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.976 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 7' ' ' THR . 2.0 t0 -58.9 -52.41 65.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.911 0.386 . . . . 0.0 110.586 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.43 -44.06 68.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.99 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.0 mtpp -55.78 -42.52 75.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.941 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.96 -18.86 64.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.151 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 1.6 tmt_? -82.18 -53.75 5.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.844 0.354 . . . . 0.0 110.815 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 175.57 37.31 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.52 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CD2' ' HB2' ' A' ' 29' ' ' CYS . 12.3 m-85 -130.73 172.49 11.92 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.739 0.304 . . . . 0.0 110.978 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 19' ' ' SER . 0.9 OUTLIER -116.49 -31.93 5.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.442 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.403 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER -144.96 -175.69 4.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.784 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.457 ' CA ' ' HA ' ' A' ' 29' ' ' CYS . . . 161.71 159.96 10.54 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.836 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -141.48 143.78 34.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.789 0.328 . . . . 0.0 110.736 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 27' ' ' CYS . 28.8 t -94.38 107.1 19.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.045 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' HB ' ' O ' ' A' ' 26' ' ' ALA . 19.3 mm -74.95 155.51 6.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' N ' HG22 ' A' ' 23' ' ' ILE . 26.2 m120 -43.56 -23.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -150.9 30.41 0.64 Allowed 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' O ' ' HB ' ' A' ' 23' ' ' ILE . . . -178.81 121.24 0.08 Allowed 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.927 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 3.4 t -97.18 120.39 37.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.662 179.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.55 138.55 54.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.124 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.457 ' HA ' ' CA ' ' A' ' 20' ' ' GLY . 0.5 OUTLIER -121.04 154.36 36.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.721 179.812 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -115.75 133.49 22.82 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.131 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 17' ' ' TYR . 83.6 Cg_endo -81.81 173.21 11.41 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.737 2.291 . . . . 0.0 112.439 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.913 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.787 0.327 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -106.84 168.62 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.015 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 44.6 t -72.0 118.9 15.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.877 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.7 t -117.93 151.15 19.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.212 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.447 ' CD1' ' HG3' ' A' ' 21' ' ' LYS . 36.1 t80 -65.43 -46.58 79.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.85 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -34.92 77.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.236 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.469 ' O ' ' HB2' ' A' ' 11' ' ' ASP . 88.3 m -73.69 -45.56 51.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.1 0.476 . . . . 0.0 109.953 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.5 t -62.57 -43.84 97.8 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.066 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 14.5 t70 -62.41 -51.23 68.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.666 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -43.95 97.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.344 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' A' ' 7' ' ' THR . 0.4 OUTLIER -55.76 -50.05 71.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.942 0.401 . . . . 0.0 110.849 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.0 t -71.59 -44.8 63.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.49 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HB2' ' O ' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -49.91 -50.42 46.32 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.816 0.341 . . . . 0.0 111.016 -179.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.8 mtt180 -64.47 -23.69 67.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.936 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.404 ' HD2' ' CE1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -72.47 -17.98 61.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.924 179.804 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 113.87 41.12 0.94 Allowed Glycine 0 N--CA 1.443 -0.839 0 C-N-CA 121.0 -0.619 . . . . 0.0 112.494 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.404 ' CE1' ' HD2' ' A' ' 15' ' ' ARG . 7.4 m-85 -120.8 178.86 4.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.789 0.328 . . . . 0.0 111.034 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' CG ' ' OXT' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -91.68 -51.92 5.01 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.283 -179.778 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.421 ' O ' ' HB2' ' A' ' 29' ' ' CYS . 19.9 m -152.06 161.93 41.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.183 -179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.499 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -140.27 162.31 26.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.655 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.805 ' HD3' HD11 ' A' ' 23' ' ' ILE . 16.3 tttp -164.31 127.62 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.791 0.329 . . . . 0.0 110.916 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.574 ' O ' HD13 ' A' ' 23' ' ' ILE . 43.2 t -72.16 105.96 4.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.83 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.805 HD11 ' HD3' ' A' ' 21' ' ' LYS . 31.3 mm -126.62 140.84 47.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 90.1 m-20 49.84 53.69 12.34 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.079 0.466 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 46.0 30.83 0.98 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.109 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -144.7 129.52 18.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.149 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 48.7 t -63.37 104.15 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.697 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -107.48 117.7 34.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.725 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.499 ' HA ' ' HA2' ' A' ' 20' ' ' GLY . 4.2 p -133.9 161.07 35.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 0.0 111.6 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.438 ' HB2' ' CE1' ' A' ' 32' ' ' TYR . 0.1 OUTLIER -119.55 134.86 23.84 Favored Pre-proline 0 C--O 1.235 0.296 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.573 179.717 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.449 ' O ' ' C ' ' A' ' 32' ' ' TYR . 87.6 Cg_endo -82.45 -43.04 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.888 2.392 . . . . 0.0 112.731 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.548 ' OXT' ' CG ' ' A' ' 32' ' ' TYR . 1.6 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.229 -0.891 . . . . 0.0 112.485 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.345 0 CA-C-O 120.824 0.345 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.457 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.4 OUTLIER -90.92 169.82 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.457 ' H ' HG12 ' A' ' 2' ' ' VAL . 24.1 t -77.04 118.13 19.3 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.2 t -121.11 153.56 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.439 ' CZ ' ' HG2' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -70.08 -48.39 57.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.034 179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.66 -37.61 85.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.183 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.8 m -72.5 -38.9 67.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.095 0.474 . . . . 0.0 109.975 179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -69.16 -43.81 73.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.134 179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -62.62 -45.97 90.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.692 179.618 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HA ' ' CG ' ' A' ' 13' ' ' LYS . 3.5 mttp -64.15 -45.2 89.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.041 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.49 -43.17 88.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.195 0.521 . . . . 0.0 110.199 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 36.9 t -65.39 -54.14 33.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.403 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.423 ' CG ' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.8 -33.73 74.63 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.72 0.295 . . . . 0.0 111.107 -179.454 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.8 1.44 42.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.395 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 7.4 mmt-85 -108.69 30.8 6.16 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.828 0.347 . . . . 0.0 110.723 179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 62.33 40.3 98.85 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.416 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 15' ' ' ARG . 54.1 m-85 -130.21 -174.05 3.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.752 0.31 . . . . 0.0 111.006 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -93.59 -64.75 1.05 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.409 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 p -167.4 160.83 13.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.173 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.489 ' HA3' ' HA ' ' A' ' 29' ' ' CYS . . . -140.09 -159.52 7.99 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.807 -179.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.439 ' HG2' ' CZ ' ' A' ' 5' ' ' TYR . 0.0 OUTLIER -176.21 142.31 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.773 0.32 . . . . 0.0 110.835 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 23.8 t -74.34 84.0 1.92 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 28' ' ' LYS . 1.5 tp -100.69 135.49 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.353 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 52.51 44.56 29.86 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.207 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 60.53 26.99 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.832 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.46 135.92 35.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.038 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 43.0 t -79.05 86.9 4.86 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HB2' HG22 ' A' ' 23' ' ' ILE . 1.2 tptp -81.34 110.69 17.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.712 179.827 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.489 ' HA ' ' HA3' ' A' ' 20' ' ' GLY . 7.7 t -98.12 157.88 15.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -133.66 133.72 22.76 Favored Pre-proline 0 C--N 1.326 -0.42 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.783 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.16 -173.88 1.04 Allowed 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.522 2.148 . . . . 0.0 112.436 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 8.3 t80 . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.196 -0.907 . . . . 0.0 110.877 -179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.864 0.364 . . . . 1.47 111.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 3' ' ' CYS . 0.3 OUTLIER -120.17 169.25 11.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 1.22 111.047 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.418 ' H ' HG12 ' A' ' 2' ' ' VAL . 45.4 t -64.62 118.51 8.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.803 -0.635 . . . . 0.59 110.848 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 8.7 t -102.96 131.32 51.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.81 110.839 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.9 t80 -70.3 -45.4 66.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.468 . . . . 1.8 111.512 -179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 25.6 ttt180 -69.51 -37.3 77.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.316 -0.402 . . . . 3.27 111.689 -179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 1.3 m -74.59 -41.6 60.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.949 0.404 . . . . 0.88 110.304 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.32 -35.23 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.809 -0.632 . . . . 1.06 110.304 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -68.66 -49.53 58.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.901 -0.59 . . . . 1.44 110.693 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 mttt -62.8 -52.57 62.67 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.242 -0.436 . . . . 2.83 111.035 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -57.02 -50.28 73.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.252 -0.431 . . . . 1.51 110.77 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 t -65.3 -37.51 87.38 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.979 -0.555 . . . . 1.19 110.682 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -59.43 -41.15 88.89 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.933 0.397 . . . . 3.17 110.527 179.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -74.27 -6.2 46.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.012 -0.54 . . . . 3.61 111.314 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -96.0 22.48 7.44 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.741 0.305 . . . . 2.88 111.097 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 77.43 51.79 5.88 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.825 -0.702 . . . . 0.52 112.87 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.449 ' CD2' ' HB3' ' A' ' 29' ' ' CYS . 86.9 m-85 -136.79 171.45 14.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.728 0.299 . . . . 1.4 110.66 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.424 ' HG3' ' CD1' ' A' ' 32' ' ' TYR . 0.0 OUTLIER -103.14 -59.67 1.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.44 -0.345 . . . . 3.54 111.226 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.2 m -130.52 176.17 8.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 1.57 111.217 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' A' ' 29' ' ' CYS . . . -163.43 160.42 33.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.84 112.469 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 mttm -154.42 163.38 40.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.797 0.332 . . . . 3.29 111.002 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.49 ' O ' HD13 ' A' ' 23' ' ' ILE . 8.6 t -120.21 116.56 25.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.75 110.813 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.495 HG22 ' ND2' ' A' ' 24' ' ' ASN . 25.3 mm -130.83 125.92 59.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.439 . . . . 2.74 111.385 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.495 ' ND2' HG22 ' A' ' 23' ' ' ILE . 65.8 m-20 47.32 59.56 4.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.116 0.484 . . . . 3.39 111.376 179.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 54.3 24.35 5.0 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.765 -0.652 . . . . 2.31 111.135 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 23' ' ' ILE . . . -128.65 103.3 7.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.373 -0.376 . . . . 0.71 110.936 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' CYS . 2.3 t -86.41 109.85 19.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 0.89 111.111 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.61 162.18 13.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.03 -0.532 . . . . 3.17 110.73 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.449 ' HB3' ' CD2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -128.28 164.82 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.323 -0.399 . . . . 0.96 111.069 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -137.39 99.82 9.56 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.06 -0.518 . . . . 1.8 110.875 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -74.59 -167.99 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.545 2.163 . . . . 1.15 112.308 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.424 ' CD1' ' HG3' ' A' ' 18' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.257 -0.878 . . . . 4.11 110.888 179.923 . . . . . . . . 2 2 . 1 stop_ save_