data_2n9z_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 2n9z _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.05 112.24 24.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.698 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -73.97 -177.89 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.74 128.5 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.66 -3.97 86.01 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -85.02 152.96 23.06 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.514 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.88 127.34 31.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.024 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 p -113.03 -170.73 1.73 Allowed 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t 65.68 -114.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -54.22 -29.7 47.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.1 -86.39 0.41 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.94 -171.04 2.92 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.852 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -107.83 124.72 50.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.425 0.631 . . . . 0.0 109.712 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.88 129.74 31.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.88 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.01 -53.93 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.825 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -115.23 87.75 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.558 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -68.46 -17.19 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -74.58 -42.21 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.12 -13.67 24.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -128.95 154.21 46.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -129.22 159.5 35.88 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.2 t -102.9 109.28 60.97 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.947 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -54.78 166.53 1.96 Allowed 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.713 2.275 . . . . 0.0 112.735 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 65.5 ttp -111.39 88.65 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.913 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -156.01 -168.62 2.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.91 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.72 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.548 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 9.1 pt -134.5 75.78 62.98 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.85 146.22 93.93 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.819 2.346 . . . . 0.0 112.225 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.548 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 69.0 m80 -128.39 136.92 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.576 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.85 126.14 11.59 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -133.28 133.81 43.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.258 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 p . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.936 0.398 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.87 128.49 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.495 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -86.04 -162.06 0.7 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.266 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -57.74 129.07 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 110.672 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.14 31.74 81.75 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.073 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 8' ' ' VAL . 80.7 mm-40 -112.08 28.3 8.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.135 -0.226 . . . . 0.0 111.445 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 53.8 t 59.15 138.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -143.53 -157.36 0.77 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 t 61.98 -130.47 0.65 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -57.31 -33.18 67.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.322 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.7 99.16 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mttm 177.06 -178.45 0.17 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -102.46 126.98 49.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.115 0.483 . . . . 0.0 109.962 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -66.16 151.02 47.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.968 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.7 m -59.57 -40.99 89.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.92 88.56 2.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.066 0.46 . . . . 0.0 110.457 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 21' ' ' PHE . 50.4 mt -65.22 -20.11 66.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.892 0.377 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -76.6 -47.78 21.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.459 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -86.3 -7.21 58.67 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.838 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LEU . 32.8 m-85 -132.72 158.68 41.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.597 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 34.8 p90 -133.17 161.06 35.44 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.4 m -102.79 108.83 59.58 Favored Pre-proline 0 CA--C 1.541 0.61 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.774 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.6 146.66 42.47 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.961 2.44 . . . . 0.0 112.007 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.508 ' O ' ' SD ' ' A' ' 25' ' ' MET . 14.1 tmm? -80.94 77.76 7.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.322 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -145.25 178.1 8.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.73 -46.38 87.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.265 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.3 pt -124.48 81.17 59.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.19 148.34 78.96 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -125.77 149.67 48.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.548 0.53 . . . . 0.0 110.685 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -68.94 112.63 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 61.7 mmtt -119.87 161.09 21.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.331 -0.203 0 O-C-N 123.505 0.503 . . . . 0.0 111.91 -179.427 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.817 0.341 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.59 116.29 28.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -76.04 -168.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.93 128.07 34.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.974 0.416 . . . . 0.0 111.326 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 79.99 3.19 89.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -88.1 152.62 21.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.22 134.06 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.85 -156.11 0.7 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.606 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t 63.43 -129.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -56.19 -32.34 64.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.409 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.34 -42.25 99.23 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -178.13 -155.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -121.32 131.87 54.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.48 129.94 40.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.681 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.47 -34.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.739 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -138.31 102.01 4.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.499 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.4 mt -84.17 -11.26 56.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.525 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 58.0 p30 -86.9 -20.16 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.525 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 71.2 m-80 -111.11 -16.59 13.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -130.54 151.37 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 33.2 p90 -124.38 162.82 23.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.22 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.95 108.14 57.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.02 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.25 151.22 29.77 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 123.0 2.467 . . . . 0.0 112.192 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 61.4 tpp -81.59 90.61 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.098 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -159.71 -178.41 7.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.406 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.51 -46.69 89.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.694 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.48 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 6.5 pt -126.64 79.98 70.78 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.27 145.17 78.89 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.806 2.337 . . . . 0.0 112.073 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.2 m80 -123.45 148.89 45.74 Favored 'General case' 0 C--O 1.222 -0.367 0 O-C-N 123.358 0.411 . . . . 0.0 110.183 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 6' ' ' GLY . 97.7 m -64.25 120.26 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.752 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 39.0 mmtm -127.07 129.56 48.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.262 0.553 . . . . 0.0 111.736 -179.619 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.662 ' SG ' ' N ' ' A' ' 3' ' ' ALA . 1.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.973 0.416 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.662 ' N ' ' SG ' ' A' ' 2' ' ' CYS . . . -96.97 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.48 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -83.27 -172.89 4.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.13 130.76 35.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.957 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.51 20.75 79.61 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.757 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -109.06 150.81 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.5 129.36 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.0 p -132.46 -156.98 0.79 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 t 64.18 -125.39 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.702 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.0 -32.64 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.91 -44.07 98.33 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.308 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HG2' ' H ' ' A' ' 14' ' ' LYS . 60.2 tttt -178.98 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 60.7 mtpt -128.32 139.41 52.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.084 0.468 . . . . 0.0 109.94 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.76 147.37 33.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.71 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.651 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 92.8 m -59.2 -41.17 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.884 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -128.42 96.6 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.073 0.463 . . . . 0.0 110.454 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 mt -83.04 -6.38 59.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.567 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.22 -30.11 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -102.42 -15.55 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.049 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -129.0 162.28 27.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -133.44 161.75 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.11 108.16 55.65 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.36 151.84 16.92 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.439 2.092 . . . . 0.0 112.574 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.5 ptm -86.73 39.41 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.921 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.78 -178.64 3.73 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.0 110.418 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.88 -45.87 91.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.284 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.519 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 1.7 pt -124.06 82.44 56.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.157 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.57 140.6 93.85 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.803 2.335 . . . . 0.0 112.084 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.0 m80 -127.08 133.76 50.38 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.379 0.425 . . . . 0.0 110.273 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.8 m -48.55 122.38 5.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -132.82 128.54 36.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.524 0.678 . . . . 0.0 111.777 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.721 0.296 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.432 ' O ' ' SG ' ' A' ' 15' ' ' CYS . . . -96.72 133.56 41.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -99.16 -168.99 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.18 128.18 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.8 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.62 -6.25 82.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -91.15 150.85 21.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.874 0.369 . . . . 0.0 110.442 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.03 139.93 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.906 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 p -128.68 164.07 23.73 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.43 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.571 ' HG ' ' H ' ' A' ' 11' ' ' TRP . 8.2 t 59.44 -148.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.571 ' H ' ' HG ' ' A' ' 10' ' ' SER . 0.1 OUTLIER 49.44 17.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.677 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 10' ' ' SER . . . 117.67 2.04 17.25 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -126.68 150.49 48.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.86 129.9 56.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.203 0.525 . . . . 0.0 110.225 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 3' ' ' ALA . 6.5 t -74.92 141.47 44.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.988 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -35.3 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.095 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.2 85.81 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 21' ' ' PHE . 36.5 mt -71.38 -19.62 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.896 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -76.84 -49.45 15.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.511 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -80.54 -14.61 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.907 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LEU . 31.8 m-85 -126.28 156.52 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.476 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 28.3 p90 -127.84 162.36 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.167 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.2 m -102.6 108.99 59.83 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.75 151.23 33.05 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.949 2.433 . . . . 0.0 112.279 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 mmt -85.14 68.94 10.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -136.53 177.09 8.12 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.18 -39.17 85.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.54 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.34 76.62 78.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.602 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.39 141.1 96.79 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.827 2.352 . . . . 0.0 112.201 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -120.06 147.84 44.32 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 123.351 0.407 . . . . 0.0 110.347 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 106.88 3.21 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.73 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -111.38 127.91 55.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.8 tttt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 110.911 -179.099 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.727 0.298 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.59 147.99 33.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 59.9 mtpt -115.81 171.52 7.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -49.23 126.31 12.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.45 4.35 89.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 4' ' ' LYS . 75.1 tt0 -94.22 147.99 22.64 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.311 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.4 t -57.66 138.9 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.684 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.463 ' C ' ' H ' ' A' ' 11' ' ' TRP . 19.2 p -133.71 156.38 48.05 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.68 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.7 t 72.0 -40.96 0.49 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.463 ' H ' ' C ' ' A' ' 9' ' ' CYS . 10.4 t90 -55.4 -5.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 146.75 1.73 0.6 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.99 148.34 52.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.378 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -107.75 134.03 51.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.933 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.57 125.64 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.82 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.83 66.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.03 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.541 ' OD2' ' CE1' ' A' ' 21' ' ' PHE . 97.6 m-20 -76.56 -41.29 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt 41.38 20.17 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' ASP . 65.2 t0 -135.68 -67.54 0.53 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.901 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -80.88 -7.14 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE1' ' OD2' ' A' ' 17' ' ' ASP . 31.9 m-85 -122.42 148.88 44.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.059 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.0 p90 -123.75 159.75 28.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 t -104.79 108.89 62.17 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.764 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -54.58 167.94 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.305 2.003 . . . . 0.0 113.188 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.9 ttt -112.19 88.51 2.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.083 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -156.82 -167.92 2.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.042 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -61.71 -47.18 86.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.543 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 10.7 pt -134.12 75.1 66.54 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.181 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.63 149.85 73.59 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.943 2.429 . . . . 0.0 112.295 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 73.4 m80 -130.74 140.98 50.36 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.778 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.9 m -56.86 125.36 22.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.09 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 28.4 tptp -136.55 135.61 38.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.175 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm . . . . . 0 C--O 1.234 0.241 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.181 179.393 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.848 0.356 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.73 136.63 45.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -95.25 171.36 8.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -50.32 128.76 20.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.237 0.541 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.01 2.16 90.31 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -91.76 150.74 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.346 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.3 t -57.99 135.05 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -142.62 160.09 40.98 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.41 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER 71.44 -42.14 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.499 ' H ' ' C ' ' A' ' 9' ' ' CYS . 82.8 t90 -55.42 -5.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.162 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 147.18 2.84 0.49 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.59 150.67 51.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 110.792 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -97.74 139.33 33.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.287 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.5 t -73.7 147.77 43.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.318 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.69 -41.0 89.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.671 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -124.62 91.57 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.42 -5.55 56.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -96.98 -7.28 33.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -130.23 -8.54 4.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.653 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 17.9 m-85 -129.4 161.23 30.82 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 40.3 p90 -136.17 161.07 36.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.234 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 97.8 m -103.14 108.83 60.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.76 159.37 1.57 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.833 2.355 . . . . 0.0 112.461 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -80.77 -4.39 54.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.922 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.46 155.61 28.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.096 0.474 . . . . 0.0 109.914 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -58.7 -12.2 3.97 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.748 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.544 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 11.3 pt -135.97 73.09 60.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.141 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.27 138.93 80.33 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.55 2.167 . . . . 0.0 111.865 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.9 m80 -126.77 136.38 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.339 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.9 m -49.96 106.41 0.12 Allowed 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.181 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -118.18 127.21 53.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.751 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttt . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.362 0.601 . . . . 0.0 110.542 179.652 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.461 0.079 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.0 123.27 37.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.572 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.434 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 7.6 tptp -80.1 -168.08 1.52 Allowed 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.93 128.23 35.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.796 0.331 . . . . 0.0 111.277 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.39 86.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 77.4 mm-40 -87.02 153.13 21.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.133 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -61.34 127.67 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 31.1 p -138.32 114.45 10.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 110.342 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LYS . 41.2 t -175.26 -138.83 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 43.6 p-90 -60.44 -40.16 90.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -65.39 -46.85 84.29 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.779 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.3 mttt -146.27 165.09 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.603 0.24 . . . . 0.0 110.842 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -116.36 142.32 47.01 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.328 0.585 . . . . 0.0 109.944 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -64.25 134.68 55.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.844 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.78 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.762 0.315 . . . . 0.0 110.828 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -101.82 96.59 7.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -81.3 -10.94 59.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.535 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 56.9 p-10 -87.22 -1.47 57.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.535 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 72.3 m-80 -129.96 -32.05 1.88 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.91 146.91 43.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 35.6 p90 -118.06 162.39 18.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.195 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 94.2 m -104.36 107.6 58.08 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.573 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.7 151.36 10.88 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 122.907 2.405 . . . . 0.0 112.598 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.19 75.33 9.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.744 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -142.93 178.78 7.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -58.98 -45.72 89.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.433 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 6.6 pt -127.57 79.69 73.03 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.55 147.2 71.09 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.846 2.364 . . . . 0.0 112.044 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 70.6 m80 -124.11 129.63 51.18 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.56 0.538 . . . . 0.0 110.399 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.6 m -49.78 124.58 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.481 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 tppp? -138.11 128.4 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.717 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.121 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.709 0.29 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.04 116.31 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.404 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 18.3 tptt -75.24 -169.68 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.096 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.1 128.23 34.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 0.0 111.331 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.95 87.47 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 79.6 mm-40 -84.79 153.25 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.58 134.71 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.593 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.492 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -139.17 164.95 28.46 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.078 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.638 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.3 -31.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.492 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -69.46 27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.528 . . . . 0.0 110.373 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.638 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 105.2 2.21 41.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -121.28 144.76 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.331 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -101.8 134.1 45.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.228 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -71.36 128.89 37.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.489 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.07 -37.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.111 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -134.5 86.38 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.01 -21.1 63.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 -36.35 62.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.729 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -94.92 -22.55 17.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -120.21 156.65 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.777 0.673 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 26.5 p90 -131.81 162.08 31.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.337 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 82.7 m -102.53 107.63 54.6 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.636 0.585 . . . . 0.0 111.351 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.07 152.92 22.57 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.879 2.386 . . . . 0.0 112.49 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mtm -86.88 82.8 7.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.277 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -152.56 -179.49 7.63 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.345 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.44 -46.38 88.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 6.9 pt -125.43 80.29 65.76 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -58.72 147.75 86.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.769 2.313 . . . . 0.0 112.224 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 73.5 m80 -128.43 149.28 50.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.373 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.7 m -65.77 117.24 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 67.6 mmtt -124.36 126.5 46.09 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.759 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 111.874 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.702 0.287 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.87 128.8 34.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.534 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 99.0 mttt -87.44 179.99 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.76 132.11 52.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.41 -5.53 84.28 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.447 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 90.0 mt-10 -91.28 148.83 22.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.347 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.6 t -66.7 134.03 30.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -134.34 -168.93 2.23 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.185 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.639 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 19.6 t 63.36 -100.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.558 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -57.94 -29.72 65.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.135 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.25 -79.98 1.47 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.6 mttt -124.02 -175.44 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.23 127.39 53.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.221 0.534 . . . . 0.0 109.684 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.31 133.35 50.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.851 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -26.45 13.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.178 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -139.66 76.44 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.421 . . . . 0.0 110.614 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.15 -38.04 63.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -101.71 -18.01 16.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -117.49 150.71 38.49 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.257 0.348 . . . . 0.0 110.262 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -129.09 160.71 31.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.449 ' O ' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.85 103.76 45.68 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 23' ' ' CYS . 51.5 Cg_exo -48.73 -174.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.28 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -131.15 41.7 3.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 28' ' ' ILE . 87.8 tt0 -112.22 74.9 0.89 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.2 t80 61.16 -67.6 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.221 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt -119.97 85.52 34.86 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 152.43 47.65 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.905 2.403 . . . . 0.0 112.125 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -132.51 138.94 47.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.493 0.496 . . . . 0.0 110.522 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.8 m -53.04 118.23 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -131.98 128.01 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.7 tttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.884 -179.443 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.46 0.055 0 CA-C-O 120.671 0.272 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.03 118.78 31.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.419 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -79.36 -175.09 4.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.56 135.26 57.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 111.041 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.05 3.57 84.97 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.159 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -93.06 153.63 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.63 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.3 135.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.503 ' C ' ' H ' ' A' ' 11' ' ' TRP . 31.2 p -139.87 166.78 23.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.128 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.567 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 m 74.55 -28.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.025 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.503 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -71.23 39.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.539 0.685 . . . . 0.0 109.888 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.567 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 97.23 -4.92 62.74 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -115.29 154.18 29.57 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.837 0.351 . . . . 0.0 110.409 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -110.06 139.82 44.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 0.0 110.301 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.74 129.12 37.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.507 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -31.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.958 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.26 96.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -84.16 -8.98 58.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.876 0.37 . . . . 0.0 110.579 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 56.2 p-10 -92.89 3.95 54.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.519 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 72.7 m-80 -139.12 -22.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -119.07 154.3 33.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.538 0.524 . . . . 0.0 110.22 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.7 p90 -129.96 161.01 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.261 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.504 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 91.1 m -103.62 108.5 59.65 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.44 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.21 148.0 26.21 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.811 2.341 . . . . 0.0 112.744 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.8 ptp -79.86 65.76 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -133.49 178.54 6.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.29 -43.35 92.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.235 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.457 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 7.2 pt -127.13 79.22 73.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.638 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.5 141.54 90.2 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.742 2.295 . . . . 0.0 112.064 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 67.1 m80 -121.93 134.07 54.85 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.575 178.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 m -52.61 118.44 3.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.366 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 27.3 tptp -130.89 128.16 39.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.45 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.371 -179.689 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 38.1 t . . . . . 0 CA--C 1.518 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.52 ' N ' ' SG ' ' A' ' 2' ' ' CYS . . . -106.51 115.19 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.696 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -78.14 -161.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.935 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.2 132.41 51.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.516 . . . . 0.0 111.465 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.06 16.5 78.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -103.01 151.37 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.189 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 136.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.109 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.622 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.7 p -135.36 167.15 21.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.515 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.506 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 48.2 m 62.25 -23.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.366 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.622 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.56 39.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 109.87 179.453 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 93.08 7.53 62.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -128.17 148.81 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.358 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.8 135.82 49.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.361 0.6 . . . . 0.0 109.89 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.89 141.95 51.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.052 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.62 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 89.2 m -59.44 -41.88 90.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.625 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -123.38 80.2 1.76 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.609 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.08 -14.99 62.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.96 -37.63 61.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.6 -22.63 13.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.223 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -114.21 144.24 43.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -117.24 161.71 19.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.124 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.506 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 16.9 t -106.75 106.75 58.84 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.052 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.43 163.43 1.74 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.374 2.049 . . . . 0.0 113.287 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mtt -107.78 61.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -127.01 -171.4 2.4 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.212 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -60.75 -46.83 88.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.413 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 8.2 pt -130.81 75.91 77.98 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -58.97 145.27 98.04 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.98 2.453 . . . . 0.0 112.483 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.5 m80 -129.87 138.01 50.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.456 0.472 . . . . 0.0 110.283 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.3 m -52.03 127.9 22.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.256 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -137.93 129.49 28.06 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.994 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.268 179.656 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 11.6 t . . . . . 0 CA--C 1.518 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 111.292 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.551 ' N ' ' SG ' ' A' ' 2' ' ' CYS . . . -87.66 117.42 26.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.625 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -90.04 -179.26 5.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.156 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -53.47 127.55 25.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.52 . . . . 0.0 111.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.73 15.44 73.54 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -98.96 141.93 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.21 134.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' SER . 31.5 p -136.88 170.15 16.57 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.304 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.573 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER 81.11 -26.48 0.15 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.893 -179.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.408 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -70.83 38.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.532 0.682 . . . . 0.0 109.942 179.634 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 -1.02 71.1 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -115.33 148.96 38.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.482 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.75 134.97 49.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.301 0.572 . . . . 0.0 110.156 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.504 ' C ' ' H ' ' A' ' 17' ' ' ASP . 7.8 t -65.49 136.31 56.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.889 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.598 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 84.6 m -50.02 -11.62 0.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.557 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 15' ' ' CYS . 45.7 m-20 -160.07 87.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.772 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' PHE . 67.6 mt -68.01 -21.24 65.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.09 -49.34 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -81.52 -25.0 36.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.937 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LEU . 46.4 m-85 -119.94 156.36 30.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.211 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 25.8 p90 -132.36 161.81 32.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.316 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.3 m -103.26 107.73 56.6 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 123.705 0.628 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 30' ' ' HIS . 53.7 Cg_exo -50.02 157.55 2.76 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 ptm -87.27 42.22 1.02 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.274 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -111.43 174.89 5.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.168 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.46 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.804 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 14.2 pt -139.99 69.43 35.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.13 136.75 71.0 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.501 2.134 . . . . 0.0 111.813 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 79.6 m80 -123.49 152.64 41.52 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.359 0.412 . . . . 0.0 110.115 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.4 m -66.3 113.15 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 35.9 mmtm -123.55 135.31 53.93 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.204 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.311 0.577 . . . . 0.0 112.097 179.781 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.923 0.392 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.8 125.11 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.398 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -81.17 -173.21 4.19 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.4 137.75 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.51 6.7 86.88 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -101.13 150.69 22.67 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.517 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.86 136.89 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.471 ' C ' ' H ' ' A' ' 11' ' ' TRP . 31.8 p -142.77 164.84 29.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.443 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.656 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.96 -34.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.695 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.471 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -67.54 28.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.133 0.492 . . . . 0.0 110.435 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.656 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 106.87 6.91 34.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -125.49 150.17 47.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.443 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -104.53 131.76 51.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 110.247 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.84 151.11 47.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.9 m -60.16 -24.45 64.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.72 84.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.83 -20.6 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.15 -37.39 64.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -98.2 -26.33 14.59 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.13 156.55 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.448 0.468 . . . . 0.0 110.5 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.5 p90 -134.58 162.65 31.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.23 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.5 106.73 55.52 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.548 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -52.48 150.46 20.9 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.843 2.362 . . . . 0.0 112.767 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.429 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 62.3 ttp -90.2 70.8 7.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 56.4 mp0 -138.61 -177.45 4.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.496 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.92 -46.56 87.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.529 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 6.4 pt -127.58 79.81 72.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.51 151.77 59.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 123.064 2.51 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.529 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 60.7 m80 -136.18 139.97 43.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.586 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.97 118.65 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 22.3 tptp -132.43 128.53 37.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.404 179.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.07 131.07 34.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.59 170.71 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.17 127.16 18.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.97 3.17 89.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -92.23 150.64 20.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -58.39 134.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.56 ' C ' ' H ' ' A' ' 11' ' ' TRP . 29.8 p -138.98 167.51 21.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.6 m 71.87 -29.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.749 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.56 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -69.73 40.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 0.0 110.337 179.399 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 96.32 5.28 59.31 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -131.5 149.6 52.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.774 0.321 . . . . 0.0 110.606 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -103.97 142.75 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.465 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -72.05 127.22 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.077 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -36.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.758 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -132.19 100.03 4.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.3 -5.65 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 57.2 p-10 -92.45 0.13 57.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.54 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 74.9 m-80 -137.06 -22.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -118.31 157.44 27.07 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.485 0.491 . . . . 0.0 110.398 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.6 p90 -134.26 161.43 34.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.186 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 94.6 m -104.33 109.16 62.21 Favored Pre-proline 0 N--CA 1.449 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.47 146.2 26.34 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.77 2.313 . . . . 0.0 112.141 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 78.8 mtm -78.47 67.15 4.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.669 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -137.16 173.88 11.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.395 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -70.83 -10.84 60.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 179.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 13.0 pt -143.51 68.89 17.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.274 0.559 . . . . 0.0 110.643 179.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.36 139.91 85.24 Favored 'Trans proline' 0 C--N 1.302 -1.91 0 C-N-CA 122.707 2.271 . . . . 0.0 112.156 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.0 m80 -125.48 133.5 52.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.429 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.8 m -52.15 115.99 1.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.51 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 55.3 tptt -126.58 126.0 42.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.579 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 179.322 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . . . -75.53 106.3 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -70.8 -179.31 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.307 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.86 128.22 35.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.051 0.453 . . . . 0.0 110.734 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.08 -6.66 83.44 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -84.5 151.11 24.81 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.921 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.35 133.58 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.981 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.5 ' C ' ' H ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -135.42 171.97 13.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.602 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 75.11 -33.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.5 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -70.24 21.31 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.295 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.602 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 118.51 -0.04 15.93 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -128.49 148.66 50.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.462 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -106.63 134.82 49.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.214 0.531 . . . . 0.0 110.22 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 3' ' ' ALA . 4.9 t -64.01 155.66 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.973 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.34 -40.27 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -132.69 84.17 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.618 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.62 -15.65 63.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.61 -32.36 53.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -108.17 -12.04 15.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.817 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -125.16 158.23 34.46 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.368 0.417 . . . . 0.0 110.719 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -139.69 164.62 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.004 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.25 109.42 58.62 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' H ' ' A' ' 30' ' ' HIS . 68.3 Cg_exo -52.56 147.55 30.01 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.879 2.386 . . . . 0.0 112.589 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -85.17 67.91 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.643 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -134.81 -179.08 5.39 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.318 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.55 -44.78 93.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.497 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 6.1 pt -126.08 79.41 69.45 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.98 149.43 79.47 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.93 2.42 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 61.2 m80 -137.71 137.09 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.378 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -43.31 119.28 1.54 Allowed 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -135.93 136.5 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.2 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.718 0.294 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.25 132.94 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.675 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.415 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 68.1 mttm -94.55 -167.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.565 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.0 127.03 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.07 0.462 . . . . 0.0 110.965 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.87 -6.7 82.51 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.413 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 78.2 mm-40 -86.75 146.7 26.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.771 0.319 . . . . 0.0 110.629 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.11 141.3 17.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.42 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.64 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.3 p -136.27 165.5 25.62 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.261 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.496 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 58.8 m 63.35 -28.9 0.09 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.626 0.579 . . . . 0.0 111.1 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.64 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.93 46.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.751 0.786 . . . . 0.0 109.693 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.08 -0.23 72.11 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.04 145.81 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.56 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -109.34 138.54 45.53 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.64 146.54 54.37 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.869 -1.059 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.64 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.905 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.58 68.18 2.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.14 -16.89 55.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -74.74 -39.07 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -106.16 -7.39 17.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.827 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' CE2' ' CG ' ' A' ' 33' ' ' LYS . 22.4 m-85 -127.98 154.18 45.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -131.54 168.54 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 12.2 t -103.42 107.28 55.4 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -58.16 -172.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.05 1.834 . . . . 0.0 112.991 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 64.7 ttp -140.82 94.52 2.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.55 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 28' ' ' ILE . 76.9 tt0 -163.42 57.05 0.18 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.467 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 67.92 -44.72 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.55 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 9.3 pt -134.56 73.3 68.26 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.54 144.4 99.43 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.8 2.333 . . . . 0.0 112.488 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 72.8 m80 -131.13 134.72 46.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.31 126.07 2.68 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -138.68 142.45 38.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' CG ' ' CE2' ' A' ' 21' ' ' PHE . 37.6 mtpt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.732 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.35 125.42 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.42 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.43 177.85 7.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.8 132.0 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.1 1.09 90.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 8' ' ' VAL . 3.2 tm-20 -94.4 146.43 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.994 0.426 . . . . 0.0 110.046 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.519 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 53.3 t -54.91 139.64 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.638 ' C ' ' H ' ' A' ' 11' ' ' TRP . 23.8 p -137.21 168.22 20.04 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.501 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 74.0 m 63.03 -25.89 0.06 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.47 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.638 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.25 40.8 0.22 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 110.111 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 10.07 60.63 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -134.82 134.1 40.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.523 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -92.58 136.47 33.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.244 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.02 150.43 45.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.465 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -60.45 -40.59 91.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -131.15 82.39 2.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.754 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.27 -21.7 66.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -75.06 -35.48 61.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -103.44 -7.52 20.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.93 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -131.49 154.97 48.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 110.88 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -133.23 179.44 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.794 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.501 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 55.5 m -109.19 99.67 37.16 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.6 142.98 70.55 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 123.144 2.562 . . . . 0.0 112.033 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 mmt -90.66 80.21 5.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 28' ' ' ILE . 98.8 mt-10 -141.51 40.9 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 70.29 -37.16 0.37 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.55 ' H ' ' C ' ' A' ' 26' ' ' GLU . 7.1 pt -131.22 77.04 75.22 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.224 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.03 139.37 87.37 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.623 2.215 . . . . 0.0 112.546 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 75.7 m80 -128.32 130.89 48.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' HIS . 32.5 m -38.47 98.6 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.149 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' HIS . 49.1 tptt -111.97 131.09 55.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.765 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.627 -179.485 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.779 0.323 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.54 128.55 56.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -90.12 167.74 12.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.438 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -46.88 129.51 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.712 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 3.56 90.52 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -97.73 145.42 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -55.58 132.61 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.688 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -130.64 -156.93 0.79 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.78 0.324 . . . . 0.0 110.357 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t 63.98 -123.6 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -55.52 -33.04 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.467 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.4 -42.93 99.68 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 tttt 179.27 -156.76 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -114.08 134.13 55.08 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.071 0.462 . . . . 0.0 109.969 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.38 132.1 45.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.371 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -41.19 -36.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 16' ' ' CYS . 95.1 m-20 -138.59 88.3 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' PHE . 37.7 mt -69.01 -22.93 64.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.36 -36.28 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -97.52 -14.1 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 18' ' ' LEU . 56.0 m-85 -131.13 159.19 38.38 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.71 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.23 167.21 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.867 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.4 m -102.22 107.98 55.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.453 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.14 145.29 20.46 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.64 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.25 70.77 1.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.515 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.89 170.45 15.7 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -68.77 -15.44 63.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.419 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.537 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 15.4 pt -140.23 70.33 33.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.93 141.49 94.72 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.772 2.314 . . . . 0.0 112.151 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.9 m80 -124.35 134.99 52.99 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.432 0.458 . . . . 0.0 109.969 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.3 m -44.26 118.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -136.5 132.34 35.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.631 -179.778 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.755 0.312 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.39 131.48 36.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 26.8 mtpp -96.95 169.63 9.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -46.83 128.11 10.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.87 90.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 41.2 tp10 -96.69 144.41 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.385 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.61 133.39 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.708 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 p -129.01 -154.52 0.64 Allowed 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.235 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m 64.25 -126.62 0.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 49.1 p-90 -57.26 -33.06 67.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.325 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -62.33 -40.97 99.72 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 175.94 -171.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.67 0.271 . . . . 0.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.022 0.439 . . . . 0.0 110.136 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.1 t -69.06 129.11 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.991 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.29 -37.19 0.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -134.01 88.03 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.781 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.83 -21.27 62.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -76.15 -34.86 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -98.56 -12.87 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.811 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -132.9 156.36 47.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -132.61 170.19 15.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.431 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.5 m -103.56 108.07 58.17 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.13 146.1 40.01 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.696 2.264 . . . . 0.0 112.249 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 97.7 mtp -77.28 72.23 3.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.679 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -139.22 177.16 8.11 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.294 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -58.54 -45.34 89.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.212 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.528 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 5.5 pt -126.43 79.89 70.11 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.273 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.22 141.26 88.29 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.946 2.43 . . . . 0.0 112.135 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.7 m80 -123.6 134.89 53.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.633 0.583 . . . . 0.0 110.607 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.8 m -43.7 115.97 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.107 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -130.23 131.83 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.2 p -155.3 167.46 30.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.73 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.05 112.24 24.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.698 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -73.97 -177.89 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.74 128.5 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.66 -3.97 86.01 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -85.02 152.96 23.06 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.514 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.88 127.34 31.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.024 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 p -113.03 -170.73 1.73 Allowed 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t 65.68 -114.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -54.22 -29.7 47.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.1 -86.39 0.41 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.94 -171.04 2.92 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.852 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -107.83 124.72 50.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.425 0.631 . . . . 0.0 109.712 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.88 129.74 31.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.88 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.01 -53.93 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.825 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -115.23 87.75 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.558 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -68.46 -17.19 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -74.58 -42.21 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.12 -13.67 24.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -128.95 154.21 46.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -129.22 159.5 35.88 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.2 t -102.9 109.28 60.97 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.947 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -54.78 166.53 1.96 Allowed 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.713 2.275 . . . . 0.0 112.735 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 65.5 ttp -111.39 88.65 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.913 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -156.01 -168.62 2.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -61.91 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.72 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.548 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 9.1 pt -134.5 75.78 62.98 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_exo -58.85 146.22 93.93 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.819 2.346 . . . . 0.0 112.225 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.548 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 69.0 m80 -128.39 136.92 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.576 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.85 126.14 11.59 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -133.28 133.81 43.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -74.55 135.82 42.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.258 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -155.04 159.09 40.04 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.324 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.418 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -152.32 58.53 2.6 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.773 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.13 148.71 75.7 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.541 2.161 . . . . 0.0 112.236 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -138.85 -10.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.007 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.8 p -138.75 71.93 42.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -58.13 144.79 94.6 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.931 2.421 . . . . 0.0 112.011 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.93 157.25 43.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.561 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.7 t -60.77 145.07 50.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.597 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 59.8 p30 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 p -157.96 168.17 27.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.87 128.49 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.495 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -86.04 -162.06 0.7 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.266 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -57.74 129.07 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 110.672 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.14 31.74 81.75 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.073 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 8' ' ' VAL . 80.7 mm-40 -112.08 28.3 8.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.135 -0.226 . . . . 0.0 111.445 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 53.8 t 59.15 138.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -143.53 -157.36 0.77 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 t 61.98 -130.47 0.65 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -57.31 -33.18 67.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.322 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.7 99.16 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mttm 177.06 -178.45 0.17 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -102.46 126.98 49.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.115 0.483 . . . . 0.0 109.962 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -66.16 151.02 47.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.968 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.7 m -59.57 -40.99 89.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.92 88.56 2.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.066 0.46 . . . . 0.0 110.457 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 21' ' ' PHE . 50.4 mt -65.22 -20.11 66.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.892 0.377 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -76.6 -47.78 21.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.459 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -86.3 -7.21 58.67 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.838 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LEU . 32.8 m-85 -132.72 158.68 41.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.597 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 34.8 p90 -133.17 161.06 35.44 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.4 m -102.79 108.83 59.58 Favored Pre-proline 0 CA--C 1.541 0.61 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.774 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.6 146.66 42.47 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.961 2.44 . . . . 0.0 112.007 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.508 ' O ' ' SD ' ' A' ' 25' ' ' MET . 14.1 tmm? -80.94 77.76 7.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.322 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -145.25 178.1 8.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -58.73 -46.38 87.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.265 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.3 pt -124.48 81.17 59.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.19 148.34 78.96 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -125.77 149.67 48.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.548 0.53 . . . . 0.0 110.685 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -68.94 112.63 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.447 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 61.7 mmtt -119.87 161.09 21.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' TYR . 98.8 mttt -97.05 64.42 1.97 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.505 0.503 . . . . 0.0 111.91 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' LYS . 75.7 m-85 33.01 -149.13 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.007 0.192 . . . . 0.0 110.936 178.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' H ' ' HB3' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -131.69 56.94 26.92 Favored Pre-proline 0 N--CA 1.45 -0.451 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 50.8 Cg_endo -69.58 147.06 63.2 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.556 2.171 . . . . 0.0 111.819 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -110.3 -0.42 17.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.3 m -132.8 148.04 67.88 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.25 148.89 62.9 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.404 2.069 . . . . 0.0 112.389 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.39 -45.03 99.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.5 m -74.12 130.76 40.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.579 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p -156.03 169.0 25.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.608 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.59 116.29 28.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.7 tptp -76.04 -168.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.93 128.07 34.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.974 0.416 . . . . 0.0 111.326 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 31' ' ' CYS . . . 79.99 3.19 89.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -88.1 152.62 21.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.22 134.06 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.85 -156.11 0.7 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.606 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t 63.43 -129.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -56.19 -32.34 64.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.409 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.34 -42.25 99.23 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -178.13 -155.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -121.32 131.87 54.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.5 t -71.48 129.94 40.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.681 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.47 -34.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.739 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -138.31 102.01 4.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.499 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.4 mt -84.17 -11.26 56.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.525 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 58.0 p30 -86.9 -20.16 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.525 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 71.2 m-80 -111.11 -16.59 13.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -130.54 151.37 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.416 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 33.2 p90 -124.38 162.82 23.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.22 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.95 108.14 57.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.02 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.25 151.22 29.77 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 123.0 2.467 . . . . 0.0 112.192 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 61.4 tpp -81.59 90.61 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.098 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -159.71 -178.41 7.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.406 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -60.51 -46.69 89.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.694 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.48 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 6.5 pt -126.64 79.98 70.78 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.27 145.17 78.89 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.806 2.337 . . . . 0.0 112.073 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.2 m80 -123.45 148.89 45.74 Favored 'General case' 0 C--O 1.222 -0.367 0 O-C-N 123.358 0.411 . . . . 0.0 110.183 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.405 ' O ' ' N ' ' A' ' 6' ' ' GLY . 97.7 m -64.25 120.26 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.752 -179.731 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 39.0 mmtm -127.07 129.56 48.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -68.22 134.8 51.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.262 0.553 . . . . 0.0 111.736 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.97 167.39 30.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.973 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.87 86.3 57.83 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.073 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.66 158.14 47.54 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.959 1.773 . . . . 0.0 112.378 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -150.74 160.11 44.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.467 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -112.18 147.68 37.47 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.19 158.9 54.94 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.474 2.116 . . . . 0.0 112.224 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m -128.81 157.93 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.484 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 t -147.51 151.53 36.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.492 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.506 ' C ' ' HZ2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.662 ' SG ' ' N ' ' A' ' 3' ' ' ALA . 1.2 t -154.37 161.68 41.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.791 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.662 ' N ' ' SG ' ' A' ' 2' ' ' CYS . . . -96.97 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.48 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -83.27 -172.89 4.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.193 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.13 130.76 35.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.957 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.51 20.75 79.61 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.757 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 76.3 mm-40 -109.06 150.81 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.5 129.36 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.0 p -132.46 -156.98 0.79 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 t 64.18 -125.39 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.702 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.0 -32.64 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.91 -44.07 98.33 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.308 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.506 ' HZ2' ' C ' ' A' ' 1' ' ' ASP . 60.2 tttt -178.98 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.404 ' H ' ' HG2' ' A' ' 13' ' ' LYS . 60.7 mtpt -128.32 139.41 52.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.084 0.468 . . . . 0.0 109.94 179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.76 147.37 33.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.71 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.651 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 92.8 m -59.2 -41.17 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.884 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -128.42 96.6 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.073 0.463 . . . . 0.0 110.454 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 mt -83.04 -6.38 59.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.567 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.22 -30.11 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -102.42 -15.55 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.049 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -129.0 162.28 27.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -133.44 161.75 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.11 108.16 55.65 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.36 151.84 16.92 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.439 2.092 . . . . 0.0 112.574 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.5 ptm -86.73 39.41 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.921 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.78 -178.64 3.73 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.0 110.418 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.88 -45.87 91.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.284 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.519 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 1.7 pt -124.06 82.44 56.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.157 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.57 140.6 93.85 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.803 2.335 . . . . 0.0 112.084 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.0 m80 -127.08 133.76 50.38 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.379 0.425 . . . . 0.0 110.273 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.8 m -48.55 122.38 5.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -132.82 128.54 36.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 136.3 53.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.524 0.678 . . . . 0.0 111.777 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -156.93 164.21 38.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.714 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' TYR . 13.7 mptt 35.68 58.65 2.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.095 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.84 154.74 58.63 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.705 2.27 . . . . 0.0 112.139 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -116.33 -113.59 0.34 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.413 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -132.87 71.05 78.62 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.347 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.42 158.13 44.63 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.483 2.122 . . . . 0.0 112.292 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.2 t -76.05 126.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.738 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 t -152.31 156.86 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.586 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.8 p -154.64 170.31 21.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.603 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.432 ' O ' ' SG ' ' A' ' 15' ' ' CYS . . . -96.72 133.56 41.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -99.16 -168.99 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.18 128.18 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.8 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.62 -6.25 82.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -91.15 150.85 21.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.874 0.369 . . . . 0.0 110.442 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.03 139.93 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.906 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 p -128.68 164.07 23.73 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.43 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.571 ' HG ' ' H ' ' A' ' 11' ' ' TRP . 8.2 t 59.44 -148.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' H ' ' HG ' ' A' ' 10' ' ' SER . 0.1 OUTLIER 49.44 17.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.677 -179.863 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 10' ' ' SER . . . 117.67 2.04 17.25 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -126.68 150.49 48.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.86 129.9 56.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.203 0.525 . . . . 0.0 110.225 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 3' ' ' ALA . 6.5 t -74.92 141.47 44.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.988 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -35.3 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.095 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.2 85.81 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 21' ' ' PHE . 36.5 mt -71.38 -19.62 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.896 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -76.84 -49.45 15.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.511 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -80.54 -14.61 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.907 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LEU . 31.8 m-85 -126.28 156.52 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.476 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 28.3 p90 -127.84 162.36 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.167 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.2 m -102.6 108.99 59.83 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.75 151.23 33.05 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.949 2.433 . . . . 0.0 112.279 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 mmt -85.14 68.94 10.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -136.53 177.09 8.12 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.18 -39.17 85.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.54 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 pp -128.34 76.62 78.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.602 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.39 141.1 96.79 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.827 2.352 . . . . 0.0 112.201 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -120.06 147.84 44.32 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 123.351 0.407 . . . . 0.0 110.347 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 106.88 3.21 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.73 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.8 mmtp -111.38 127.91 55.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -70.53 129.87 40.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 110.911 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -150.17 159.63 44.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.226 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' TYR . 14.1 mptt 33.24 64.03 1.43 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -49.47 -65.19 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.441 2.094 . . . . 0.0 112.242 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -142.46 159.77 41.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.2 m -129.55 67.1 78.53 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.639 179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.43 157.07 49.77 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.752 2.301 . . . . 0.0 112.103 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.5 t -100.82 123.7 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.6 t -72.34 146.48 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.661 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -154.21 162.02 41.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.59 147.99 33.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 59.9 mtpt -115.81 171.52 7.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -49.23 126.31 12.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.45 4.35 89.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 4' ' ' LYS . 75.1 tt0 -94.22 147.99 22.64 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.311 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.4 t -57.66 138.9 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.684 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.463 ' C ' ' H ' ' A' ' 11' ' ' TRP . 19.2 p -133.71 156.38 48.05 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.68 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.7 t 72.0 -40.96 0.49 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.463 ' H ' ' C ' ' A' ' 9' ' ' CYS . 10.4 t90 -55.4 -5.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 146.75 1.73 0.6 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.99 148.34 52.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.378 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -107.75 134.03 51.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.933 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -58.57 125.64 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.82 -179.382 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.83 66.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.03 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.541 ' OD2' ' CE1' ' A' ' 21' ' ' PHE . 97.6 m-20 -76.56 -41.29 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt 41.38 20.17 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' ASP . 65.2 t0 -135.68 -67.54 0.53 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.901 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -80.88 -7.14 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE1' ' OD2' ' A' ' 17' ' ' ASP . 31.9 m-85 -122.42 148.88 44.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.059 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.401 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.0 p90 -123.75 159.75 28.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 t -104.79 108.89 62.17 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.764 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -54.58 167.94 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.305 2.003 . . . . 0.0 113.188 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.9 ttt -112.19 88.51 2.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.083 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -156.82 -167.92 2.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.042 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -61.71 -47.18 86.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.543 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 10.7 pt -134.12 75.1 66.54 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.181 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -58.63 149.85 73.59 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.943 2.429 . . . . 0.0 112.295 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 73.4 m80 -130.74 140.98 50.36 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.778 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.9 m -56.86 125.36 22.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.09 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 28.4 tptp -136.55 135.61 38.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.175 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -70.86 135.55 48.13 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.181 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -151.25 169.73 21.22 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.309 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -131.06 90.39 39.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.792 -178.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -77.33 19.81 0.7 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.066 1.844 . . . . 0.0 112.617 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 69.88 19.5 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -139.48 71.68 38.03 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.37 -35.47 98.87 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 123.008 2.472 . . . . 0.0 112.071 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.85 160.63 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.672 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.7 m -113.11 128.48 56.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.658 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.7 p -157.37 164.55 37.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.202 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -72.73 136.63 45.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -95.25 171.36 8.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -50.32 128.76 20.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.237 0.541 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.01 2.16 90.31 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -91.76 150.74 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.346 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.3 t -57.99 135.05 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -142.62 160.09 40.98 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.41 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.543 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER 71.44 -42.14 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.499 ' H ' ' C ' ' A' ' 9' ' ' CYS . 82.8 t90 -55.42 -5.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.162 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.543 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 147.18 2.84 0.49 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.59 150.67 51.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 110.792 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -97.74 139.33 33.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.287 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.5 t -73.7 147.77 43.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.318 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.69 -41.0 89.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.671 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -124.62 91.57 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.42 -5.55 56.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -96.98 -7.28 33.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -130.23 -8.54 4.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.653 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 17.9 m-85 -129.4 161.23 30.82 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 40.3 p90 -136.17 161.07 36.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.234 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 97.8 m -103.14 108.83 60.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.76 159.37 1.57 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.833 2.355 . . . . 0.0 112.461 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -80.77 -4.39 54.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.922 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.46 155.61 28.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.096 0.474 . . . . 0.0 109.914 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 30.8 p90 -58.7 -12.2 3.97 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.748 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.544 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 11.3 pt -135.97 73.09 60.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.141 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.27 138.93 80.33 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.55 2.167 . . . . 0.0 111.865 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.9 m80 -126.77 136.38 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.339 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.9 m -49.96 106.41 0.12 Allowed 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.181 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -118.18 127.21 53.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.751 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -76.71 141.7 40.78 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.362 0.601 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.406 ' N ' ' CD1' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -149.43 -158.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.482 -178.885 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.37 98.13 47.98 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.628 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.61 145.33 38.69 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 122.6 2.2 . . . . 0.0 112.108 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -109.32 146.74 33.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.443 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -62.59 149.07 89.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.957 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.49 155.62 68.45 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.427 2.085 . . . . 0.0 112.139 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.7 145.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.417 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m 63.55 81.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.427 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.54 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.8 p -158.14 169.12 25.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -94.0 123.27 37.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.572 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 7.6 tptp -80.1 -168.08 1.52 Allowed 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.93 128.23 35.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.796 0.331 . . . . 0.0 111.277 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.39 86.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 77.4 mm-40 -87.02 153.13 21.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.133 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -61.34 127.67 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 31.1 p -138.32 114.45 10.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 110.342 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LYS . 41.2 t -175.26 -138.83 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 43.6 p-90 -60.44 -40.16 90.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -65.39 -46.85 84.29 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.779 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.3 mttt -146.27 165.09 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.603 0.24 . . . . 0.0 110.842 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -116.36 142.32 47.01 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.328 0.585 . . . . 0.0 109.944 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -64.25 134.68 55.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.844 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.78 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.762 0.315 . . . . 0.0 110.828 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -101.82 96.59 7.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -81.3 -10.94 59.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.535 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 56.9 p-10 -87.22 -1.47 57.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.535 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 72.3 m-80 -129.96 -32.05 1.88 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.91 146.91 43.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 35.6 p90 -118.06 162.39 18.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.195 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 94.2 m -104.36 107.6 58.08 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.573 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.7 151.36 10.88 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 122.907 2.405 . . . . 0.0 112.598 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.19 75.33 9.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.744 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -142.93 178.78 7.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.5 t80 -58.98 -45.72 89.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.433 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 6.6 pt -127.57 79.69 73.03 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.55 147.2 71.09 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.846 2.364 . . . . 0.0 112.044 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 70.6 m80 -124.11 129.63 51.18 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.56 0.538 . . . . 0.0 110.399 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.6 m -49.78 124.58 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.481 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 tppp? -138.11 128.4 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.717 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -66.94 139.15 57.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -155.63 164.94 37.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.848 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -21.31 86.06 0.04 OUTLIER Pre-proline 0 N--CA 1.474 0.756 0 O-C-N 124.752 1.282 . . . . 0.0 110.807 -179.809 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' N ' ' O ' ' A' ' 34' ' ' TYR . 31.4 Cg_exo -58.82 151.83 61.64 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 123.004 2.47 . . . . 0.0 111.956 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -102.36 141.75 34.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.293 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.83 71.8 81.45 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.557 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.14 159.8 43.61 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.831 2.354 . . . . 0.0 112.206 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.6 t -67.63 127.91 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.2 m -124.75 130.31 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.638 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.591 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 p -151.6 164.94 35.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.44 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.04 116.31 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.404 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 18.3 tptt -75.24 -169.68 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.096 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.1 128.23 34.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 0.0 111.331 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.95 87.47 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.404 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 79.6 mm-40 -84.79 153.25 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.58 134.71 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.593 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.492 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -139.17 164.95 28.46 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.078 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.638 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.3 -31.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.492 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -69.46 27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.528 . . . . 0.0 110.373 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.638 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 105.2 2.21 41.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -121.28 144.76 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.331 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -101.8 134.1 45.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.228 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.7 t -71.36 128.89 37.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.489 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.07 -37.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.111 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -134.5 86.38 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.01 -21.1 63.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 -36.35 62.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.729 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -94.92 -22.55 17.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -120.21 156.65 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.777 0.673 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.437 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 26.5 p90 -131.81 162.08 31.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.337 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 82.7 m -102.53 107.63 54.6 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.636 0.585 . . . . 0.0 111.351 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.07 152.92 22.57 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.879 2.386 . . . . 0.0 112.49 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mtm -86.88 82.8 7.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.277 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -152.56 -179.49 7.63 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.345 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -59.44 -46.38 88.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.447 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 6.9 pt -125.43 80.29 65.76 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -58.72 147.75 86.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.769 2.313 . . . . 0.0 112.224 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 73.5 m80 -128.43 149.28 50.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.373 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.7 m -65.77 117.24 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 67.6 mmtt -124.36 126.5 46.09 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.759 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -68.97 129.59 40.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 111.874 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.597 ' CE1' ' NZ ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -145.93 -6.22 0.59 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.928 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.597 ' NZ ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -127.43 70.6 76.29 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-O 121.424 0.63 . . . . 0.0 111.315 179.032 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.65 176.27 10.08 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 123.021 2.481 . . . . 0.0 111.519 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -110.04 140.81 43.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.09 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.16 122.3 82.17 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.828 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.6 162.97 34.84 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.077 1.852 . . . . 0.0 112.275 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.66 156.71 39.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -66.88 -34.45 77.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.0 p -154.33 163.73 39.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.87 128.8 34.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.534 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.406 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 99.0 mttt -87.44 179.99 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.76 132.11 52.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.41 -5.53 84.28 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.447 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.406 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 90.0 mt-10 -91.28 148.83 22.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.347 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.6 t -66.7 134.03 30.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -134.34 -168.93 2.23 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.185 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.639 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 19.6 t 63.36 -100.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.558 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -57.94 -29.72 65.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.135 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.25 -79.98 1.47 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.6 mttt -124.02 -175.44 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.23 127.39 53.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.221 0.534 . . . . 0.0 109.684 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.31 133.35 50.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.851 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -26.45 13.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.178 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -139.66 76.44 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.421 . . . . 0.0 110.614 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.15 -38.04 63.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -101.71 -18.01 16.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -117.49 150.71 38.49 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.257 0.348 . . . . 0.0 110.262 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -129.09 160.71 31.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.449 ' O ' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.85 103.76 45.68 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 23' ' ' CYS . 51.5 Cg_exo -48.73 -174.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.28 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -131.15 41.7 3.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.521 ' O ' ' N ' ' A' ' 28' ' ' ILE . 87.8 tt0 -112.22 74.9 0.89 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.2 t80 61.16 -67.6 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.221 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt -119.97 85.52 34.86 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 152.43 47.65 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.905 2.403 . . . . 0.0 112.125 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -132.51 138.94 47.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.493 0.496 . . . . 0.0 110.522 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.8 m -53.04 118.23 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -131.98 128.01 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -73.12 132.89 43.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.884 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -143.54 -166.88 2.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.646 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.09 104.74 48.58 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.664 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.65 160.24 31.5 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.878 1.719 . . . . 0.0 112.279 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -126.77 145.92 50.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.456 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.05 65.53 76.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.519 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.46 153.64 55.38 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.583 2.189 . . . . 0.0 112.326 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.9 t -80.16 128.38 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.0 m -109.67 127.68 54.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.465 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.587 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 2' ' ' CYS . 57.3 p-10 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 30.1 p -151.86 163.83 38.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.456 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -92.03 118.78 31.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.419 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -79.36 -175.09 4.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.56 135.26 57.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 111.041 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.05 3.57 84.97 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.159 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -93.06 153.63 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.63 -179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.3 135.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.503 ' C ' ' H ' ' A' ' 11' ' ' TRP . 31.2 p -139.87 166.78 23.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.128 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.567 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 m 74.55 -28.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.025 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.503 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -71.23 39.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.539 0.685 . . . . 0.0 109.888 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.567 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 97.23 -4.92 62.74 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -115.29 154.18 29.57 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.837 0.351 . . . . 0.0 110.409 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -110.06 139.82 44.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 0.0 110.301 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.74 129.12 37.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.507 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -31.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.958 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.26 96.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -84.16 -8.98 58.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.876 0.37 . . . . 0.0 110.579 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 56.2 p-10 -92.89 3.95 54.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.519 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 72.7 m-80 -139.12 -22.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -119.07 154.3 33.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.538 0.524 . . . . 0.0 110.22 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.7 p90 -129.96 161.01 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.261 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.504 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 91.1 m -103.62 108.5 59.65 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.44 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.21 148.0 26.21 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.811 2.341 . . . . 0.0 112.744 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.8 ptp -79.86 65.76 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.851 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -133.49 178.54 6.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -59.29 -43.35 92.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.235 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.457 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 7.2 pt -127.13 79.22 73.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.638 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.5 141.54 90.2 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.742 2.295 . . . . 0.0 112.064 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 67.1 m80 -121.93 134.07 54.85 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.575 178.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 m -52.61 118.44 3.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.366 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 27.3 tptp -130.89 128.16 39.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.45 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -68.39 135.79 52.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.371 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -155.21 -170.73 3.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.679 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -102.79 112.77 65.97 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.651 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.17 152.43 39.98 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.882 1.722 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -153.81 160.68 42.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -106.17 147.1 34.25 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.696 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 -23.91 47.9 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.305 2.003 . . . . 0.0 112.303 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 p -145.85 140.43 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.658 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -70.02 -27.04 64.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 66.6 m . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.63 179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' A' ' 2' ' ' CYS . 58.9 p30 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 38.1 t -151.04 154.62 37.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.24 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.52 ' N ' ' SG ' ' A' ' 2' ' ' CYS . . . -106.51 115.19 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.696 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -78.14 -161.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.935 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.2 132.41 51.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.516 . . . . 0.0 111.465 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.06 16.5 78.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -103.01 151.37 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.189 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 136.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.109 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.622 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.7 p -135.36 167.15 21.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.515 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.506 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 48.2 m 62.25 -23.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.366 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.622 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.56 39.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 109.87 179.453 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 93.08 7.53 62.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -128.17 148.81 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.358 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.8 135.82 49.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.361 0.6 . . . . 0.0 109.89 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.89 141.95 51.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.052 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.62 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 89.2 m -59.44 -41.88 90.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.625 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -123.38 80.2 1.76 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.609 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.08 -14.99 62.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.96 -37.63 61.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.6 -22.63 13.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.223 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -114.21 144.24 43.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 32.7 p90 -117.24 161.71 19.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.124 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.506 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 16.9 t -106.75 106.75 58.84 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.052 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.43 163.43 1.74 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.374 2.049 . . . . 0.0 113.287 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mtt -107.78 61.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -127.01 -171.4 2.4 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.212 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -60.75 -46.83 88.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.413 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.533 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 8.2 pt -130.81 75.91 77.98 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -58.97 145.27 98.04 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.98 2.453 . . . . 0.0 112.483 -179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.5 m80 -129.87 138.01 50.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.456 0.472 . . . . 0.0 110.283 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.3 m -52.03 127.9 22.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.256 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -137.93 129.49 28.06 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.994 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -69.37 133.21 47.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.268 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -146.47 -170.98 3.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.343 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.598 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 6.5 mptt -95.1 114.42 63.67 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.444 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -75.61 155.74 40.21 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.94 1.76 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -149.05 147.32 28.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.036 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -99.89 -42.84 0.22 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.823 179.23 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 38' ' ' VAL . 97.3 Cg_endo -81.72 159.94 18.99 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 122.038 1.825 . . . . 0.0 112.461 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.02 -44.62 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.437 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 m 60.27 60.55 2.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.654 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.6 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 2' ' ' CYS . 66.3 t0 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 11.6 t -150.34 153.95 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.292 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.551 ' N ' ' SG ' ' A' ' 2' ' ' CYS . . . -87.66 117.42 26.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.625 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -90.04 -179.26 5.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.156 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -53.47 127.55 25.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.52 . . . . 0.0 111.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.73 15.44 73.54 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -98.96 141.93 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 72.5 t -54.21 134.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 -178.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' SER . 31.5 p -136.88 170.15 16.57 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.304 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.573 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER 81.11 -26.48 0.15 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.893 -179.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.408 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -70.83 38.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.532 0.682 . . . . 0.0 109.942 179.634 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.573 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 -1.02 71.1 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -115.33 148.96 38.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.482 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.75 134.97 49.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.301 0.572 . . . . 0.0 110.156 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.504 ' C ' ' H ' ' A' ' 17' ' ' ASP . 7.8 t -65.49 136.31 56.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.889 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.598 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 84.6 m -50.02 -11.62 0.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.557 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' A' ' 15' ' ' CYS . 45.7 m-20 -160.07 87.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.772 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' PHE . 67.6 mt -68.01 -21.24 65.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.09 -49.34 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -81.52 -25.0 36.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.937 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LEU . 46.4 m-85 -119.94 156.36 30.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.211 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.45 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 25.8 p90 -132.36 161.81 32.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.316 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.3 m -103.26 107.73 56.6 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 123.705 0.628 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.42 ' HD2' ' N ' ' A' ' 30' ' ' HIS . 53.7 Cg_exo -50.02 157.55 2.76 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 ptm -87.27 42.22 1.02 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.274 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -111.43 174.89 5.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.168 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.46 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.804 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 14.2 pt -139.99 69.43 35.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.13 136.75 71.0 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.501 2.134 . . . . 0.0 111.813 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 79.6 m80 -123.49 152.64 41.52 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.359 0.412 . . . . 0.0 110.115 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.4 m -66.3 113.15 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.407 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 35.9 mmtm -123.55 135.31 53.93 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.204 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.55 138.37 55.07 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.311 0.577 . . . . 0.0 112.097 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -159.73 174.65 14.19 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.458 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -112.13 99.01 44.8 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.515 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -76.47 152.13 33.77 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.89 1.726 . . . . 0.0 112.201 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -143.38 13.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.566 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.22 148.35 98.8 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.76 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.15 158.89 55.0 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.473 2.115 . . . . 0.0 112.192 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 p -128.6 136.71 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.518 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 t -82.81 -30.65 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.659 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.896 -1.049 . . . . 0.0 110.546 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.9 p -158.58 164.82 35.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.031 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.8 125.11 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.398 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -81.17 -173.21 4.19 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.4 137.75 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.51 6.7 86.88 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -101.13 150.69 22.67 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.517 -179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.86 136.89 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.471 ' C ' ' H ' ' A' ' 11' ' ' TRP . 31.8 p -142.77 164.84 29.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.443 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.656 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.96 -34.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.695 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.471 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -67.54 28.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.133 0.492 . . . . 0.0 110.435 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.656 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 106.87 6.91 34.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -125.49 150.17 47.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.443 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -104.53 131.76 51.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 110.247 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.84 151.11 47.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.9 m -60.16 -24.45 64.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.72 84.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.83 -20.6 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.15 -37.39 64.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -98.2 -26.33 14.59 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.13 156.55 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.448 0.468 . . . . 0.0 110.5 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.43 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.5 p90 -134.58 162.65 31.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.23 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.5 106.73 55.52 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.548 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -52.48 150.46 20.9 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.843 2.362 . . . . 0.0 112.767 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.429 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 62.3 ttp -90.2 70.8 7.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 56.4 mp0 -138.61 -177.45 4.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.496 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -58.92 -46.56 87.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.529 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 6.4 pt -127.58 79.81 72.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.51 151.77 59.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 123.064 2.51 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.529 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 60.7 m80 -136.18 139.97 43.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.586 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.97 118.65 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 22.3 tptp -132.43 128.53 37.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -67.25 134.7 52.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.404 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -145.6 -173.11 4.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.578 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.93 110.13 54.35 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.863 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.36 -0.17 10.1 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.279 1.986 . . . . 0.0 112.419 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 64.33 166.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.2 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.3 m -129.29 68.25 79.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.341 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.88 152.65 58.11 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.617 2.211 . . . . 0.0 112.303 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.51 -17.48 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.433 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.0 p -75.75 162.55 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.445 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.455 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p -154.53 165.82 35.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.644 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.07 131.07 34.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.59 170.71 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.17 127.16 18.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.97 3.17 89.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -92.23 150.64 20.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -58.39 134.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.56 ' C ' ' H ' ' A' ' 11' ' ' TRP . 29.8 p -138.98 167.51 21.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.6 m 71.87 -29.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.749 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -69.73 40.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 0.0 110.337 179.399 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 96.32 5.28 59.31 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -131.5 149.6 52.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.774 0.321 . . . . 0.0 110.606 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -103.97 142.75 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.465 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.8 t -72.05 127.22 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.077 -179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -36.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.758 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -132.19 100.03 4.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.3 -5.65 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 57.2 p-10 -92.45 0.13 57.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.54 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 74.9 m-80 -137.06 -22.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -118.31 157.44 27.07 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.485 0.491 . . . . 0.0 110.398 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.6 p90 -134.26 161.43 34.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.186 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 94.6 m -104.33 109.16 62.21 Favored Pre-proline 0 N--CA 1.449 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.47 146.2 26.34 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.77 2.313 . . . . 0.0 112.141 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 78.8 mtm -78.47 67.15 4.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.669 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -137.16 173.88 11.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.395 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -70.83 -10.84 60.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 179.569 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 13.0 pt -143.51 68.89 17.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.274 0.559 . . . . 0.0 110.643 179.004 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.36 139.91 85.24 Favored 'Trans proline' 0 C--N 1.302 -1.91 0 C-N-CA 122.707 2.271 . . . . 0.0 112.156 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.0 m80 -125.48 133.5 52.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.429 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.8 m -52.15 115.99 1.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.51 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 55.3 tptt -126.58 126.0 42.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.579 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -66.85 135.11 53.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -152.14 -179.67 7.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -112.96 105.99 55.41 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -74.99 153.85 42.11 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.798 2.332 . . . . 0.0 112.167 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 35' ' ' LYS . 90.0 m-85 -132.97 170.37 15.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.443 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.6 p -133.22 73.83 73.69 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.14 148.29 90.09 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.942 2.428 . . . . 0.0 111.966 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.1 t -109.74 122.62 64.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.541 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 t -157.61 161.17 38.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.525 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.599 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p -159.35 167.11 29.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.021 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.44 ' O ' ' SG ' ' A' ' 15' ' ' CYS . . . -75.53 106.3 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -70.8 -179.31 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.307 179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.86 128.22 35.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.051 0.453 . . . . 0.0 110.734 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.08 -6.66 83.44 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -84.5 151.11 24.81 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.921 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.35 133.58 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.981 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.5 ' C ' ' H ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -135.42 171.97 13.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.602 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 75.11 -33.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.5 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -70.24 21.31 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.295 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.602 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 118.51 -0.04 15.93 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -128.49 148.66 50.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.462 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -106.63 134.82 49.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.214 0.531 . . . . 0.0 110.22 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 3' ' ' ALA . 4.9 t -64.01 155.66 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.973 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.34 -40.27 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -132.69 84.17 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.618 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.62 -15.65 63.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.61 -32.36 53.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -108.17 -12.04 15.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.817 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -125.16 158.23 34.46 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.368 0.417 . . . . 0.0 110.719 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -139.69 164.62 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.004 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.25 109.42 58.62 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.426 ' HD2' ' H ' ' A' ' 30' ' ' HIS . 68.3 Cg_exo -52.56 147.55 30.01 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.879 2.386 . . . . 0.0 112.589 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -85.17 67.91 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.643 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -134.81 -179.08 5.39 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.318 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -59.55 -44.78 93.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.497 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 6.1 pt -126.08 79.41 69.45 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.98 149.43 79.47 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.93 2.42 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 61.2 m80 -137.71 137.09 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.378 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -43.31 119.28 1.54 Allowed 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -135.93 136.5 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -69.85 135.23 49.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -49.43 -93.7 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.965 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 40.8 mtpt -125.75 80.27 67.0 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.998 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' C ' ' CG ' ' A' ' 37' ' ' TYR . 68.8 Cg_endo -77.42 141.01 19.76 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.303 2.002 . . . . 0.0 112.565 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.618 ' N ' ' CD2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER 62.94 49.23 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.485 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.7 m -68.5 151.66 97.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.008 -179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.46 140.21 28.09 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.995 1.797 . . . . 0.0 112.232 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.3 t 47.78 86.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.661 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 t -58.24 145.59 36.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.688 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.557 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 1' ' ' ASP . 55.8 p-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p -156.31 165.47 36.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.25 132.94 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.675 179.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.415 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 68.1 mttm -94.55 -167.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.565 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.0 127.03 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.07 0.462 . . . . 0.0 110.965 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.87 -6.7 82.51 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.413 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 78.2 mm-40 -86.75 146.7 26.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.771 0.319 . . . . 0.0 110.629 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.11 141.3 17.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.42 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.64 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.3 p -136.27 165.5 25.62 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.261 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.496 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 58.8 m 63.35 -28.9 0.09 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.626 0.579 . . . . 0.0 111.1 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.64 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.93 46.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.751 0.786 . . . . 0.0 109.693 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.08 -0.23 72.11 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.04 145.81 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.56 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -109.34 138.54 45.53 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.64 146.54 54.37 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.869 -1.059 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.64 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.905 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.58 68.18 2.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.14 -16.89 55.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -74.74 -39.07 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -106.16 -7.39 17.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.827 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' CE2' ' CG ' ' A' ' 33' ' ' LYS . 22.4 m-85 -127.98 154.18 45.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -131.54 168.54 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.496 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 12.2 t -103.42 107.28 55.4 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -58.16 -172.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.05 1.834 . . . . 0.0 112.991 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 64.7 ttp -140.82 94.52 2.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.55 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 28' ' ' ILE . 76.9 tt0 -163.42 57.05 0.18 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.467 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 67.92 -44.72 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.55 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 9.3 pt -134.56 73.3 68.26 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.54 144.4 99.43 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.8 2.333 . . . . 0.0 112.488 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 72.8 m80 -131.13 134.72 46.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.31 126.07 2.68 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -138.68 142.45 38.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 34' ' ' TYR . 37.6 mtpt -72.97 140.75 47.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.732 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.465 ' O ' ' O ' ' A' ' 33' ' ' LYS . 93.7 m-85 -54.98 -117.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.948 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 58.82 13.78 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.796 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.71 146.42 48.59 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.669 2.246 . . . . 0.0 111.965 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -112.88 -1.58 14.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.729 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 32.9 m -130.73 64.26 72.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.578 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.34 151.53 48.52 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.601 2.2 . . . . 0.0 112.181 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -142.0 139.86 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.692 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.2 p -95.7 -5.67 41.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.494 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p -157.59 163.57 38.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.98 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.35 125.42 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.42 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.43 177.85 7.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.8 132.0 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.1 1.09 90.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 8' ' ' VAL . 3.2 tm-20 -94.4 146.43 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.994 0.426 . . . . 0.0 110.046 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 53.3 t -54.91 139.64 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.638 ' C ' ' H ' ' A' ' 11' ' ' TRP . 23.8 p -137.21 168.22 20.04 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.501 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 74.0 m 63.03 -25.89 0.06 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.47 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.638 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.25 40.8 0.22 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 110.111 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.472 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 10.07 60.63 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -134.82 134.1 40.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.523 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -92.58 136.47 33.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.244 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.02 150.43 45.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.465 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -60.45 -40.59 91.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -131.15 82.39 2.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.754 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.27 -21.7 66.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -75.06 -35.48 61.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -103.44 -7.52 20.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.93 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -131.49 154.97 48.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 110.88 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -133.23 179.44 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.794 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.501 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 55.5 m -109.19 99.67 37.16 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.6 142.98 70.55 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 123.144 2.562 . . . . 0.0 112.033 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 mmt -90.66 80.21 5.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.55 ' C ' ' H ' ' A' ' 28' ' ' ILE . 98.8 mt-10 -141.51 40.9 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 70.29 -37.16 0.37 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.55 ' H ' ' C ' ' A' ' 26' ' ' GLU . 7.1 pt -131.22 77.04 75.22 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.224 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.03 139.37 87.37 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.623 2.215 . . . . 0.0 112.546 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 75.7 m80 -128.32 130.89 48.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' HIS . 32.5 m -38.47 98.6 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.149 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' HIS . 49.1 tptt -111.97 131.09 55.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.765 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -76.1 143.71 41.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.627 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 35' ' ' LYS . 94.4 m-85 -63.01 140.13 58.84 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.984 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -7.37 77.76 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.471 0 O-C-N 124.409 1.068 . . . . 0.0 111.608 -179.357 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 34' ' ' TYR . 60.2 Cg_endo -73.83 146.35 37.75 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 122.037 1.825 . . . . 0.0 112.1 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -114.73 3.71 14.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.596 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.6 t 42.44 57.4 10.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.454 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.14 149.75 64.92 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.62 2.213 . . . . 0.0 112.279 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.9 p -63.8 -30.49 50.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.2 p -77.54 163.34 26.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.667 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.567 -179.908 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 1.2 p-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER 52.51 174.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.706 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.54 128.55 56.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -90.12 167.74 12.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.438 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -46.88 129.51 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.712 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 3.56 90.52 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -97.73 145.42 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -55.58 132.61 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.688 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -130.64 -156.93 0.79 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.78 0.324 . . . . 0.0 110.357 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t 63.98 -123.6 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -55.52 -33.04 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.467 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.4 -42.93 99.68 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 tttt 179.27 -156.76 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -114.08 134.13 55.08 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.071 0.462 . . . . 0.0 109.969 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.38 132.1 45.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.371 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -41.19 -36.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 16' ' ' CYS . 95.1 m-20 -138.59 88.3 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' PHE . 37.7 mt -69.01 -22.93 64.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.36 -36.28 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -97.52 -14.1 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 18' ' ' LEU . 56.0 m-85 -131.13 159.19 38.38 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.71 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.23 167.21 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.867 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.4 m -102.22 107.98 55.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.453 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.14 145.29 20.46 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.64 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.25 70.77 1.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.515 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.89 170.45 15.7 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -68.77 -15.44 63.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.419 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.537 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 15.4 pt -140.23 70.33 33.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.93 141.49 94.72 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.772 2.314 . . . . 0.0 112.151 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.9 m80 -124.35 134.99 52.99 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.432 0.458 . . . . 0.0 109.969 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.3 m -44.26 118.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -136.5 132.34 35.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -65.29 142.13 58.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.631 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -59.96 -43.23 95.17 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 22.8 mtpp -132.45 77.58 69.72 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.22 140.62 93.4 Favored 'Trans proline' 0 C--N 1.303 -1.857 0 C-N-CA 122.401 2.067 . . . . 0.0 111.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -156.08 170.3 22.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.634 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.72 70.03 51.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.6 -38.39 95.61 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.798 2.332 . . . . 0.0 112.272 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.89 144.1 17.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.651 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.9 p -69.38 -25.96 64.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.565 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.576 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.1 p -154.72 168.55 26.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.39 131.48 36.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 26.8 mtpp -96.95 169.63 9.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -46.83 128.11 10.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.87 90.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 41.2 tp10 -96.69 144.41 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.385 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.61 133.39 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.708 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 p -129.01 -154.52 0.64 Allowed 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.235 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m 64.25 -126.62 0.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 49.1 p-90 -57.26 -33.06 67.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.325 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -62.33 -40.97 99.72 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 175.94 -171.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.67 0.271 . . . . 0.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.022 0.439 . . . . 0.0 110.136 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.1 t -69.06 129.11 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.991 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.29 -37.19 0.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -134.01 88.03 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.781 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.83 -21.27 62.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -76.15 -34.86 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -98.56 -12.87 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.811 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -132.9 156.36 47.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -132.61 170.19 15.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.431 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.5 m -103.56 108.07 58.17 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.13 146.1 40.01 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.696 2.264 . . . . 0.0 112.249 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 97.7 mtp -77.28 72.23 3.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.679 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -139.22 177.16 8.11 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.294 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -58.54 -45.34 89.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.212 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.528 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 5.5 pt -126.43 79.89 70.11 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.273 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.22 141.26 88.29 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.946 2.43 . . . . 0.0 112.135 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.7 m80 -123.6 134.89 53.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.633 0.583 . . . . 0.0 110.607 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.8 m -43.7 115.97 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.107 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -130.23 131.83 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' TYR . 32.4 ttmt -67.4 138.17 56.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.416 ' O ' ' O ' ' A' ' 33' ' ' LYS . 94.3 m-85 -55.51 -166.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.459 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.44 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -136.72 60.57 31.28 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.652 -179.011 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -71.6 146.66 49.74 Favored 'Trans proline' 0 C--N 1.302 -1.873 0 C-N-CA 122.618 2.212 . . . . 0.0 112.047 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -114.53 3.49 14.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 33.7 m -131.02 62.16 63.92 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.444 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.69 -19.25 31.93 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.736 2.291 . . . . 0.0 112.464 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.85 -30.68 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.691 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.1 t -62.75 -28.07 69.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.578 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -94.05 112.24 24.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.698 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 63.4 mttp -73.97 -177.89 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.74 128.5 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.66 -3.97 86.01 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 77.3 mm-40 -85.02 152.96 23.06 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.514 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.88 127.34 31.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.024 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 p -113.03 -170.73 1.73 Allowed 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t 65.68 -114.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -54.22 -29.7 47.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.1 -86.39 0.41 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.94 -171.04 2.92 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.852 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -107.83 124.72 50.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.425 0.631 . . . . 0.0 109.712 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.88 129.74 31.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.88 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.01 -53.93 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.825 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -115.23 87.75 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.558 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -68.46 -17.19 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -74.58 -42.21 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.12 -13.67 24.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -128.95 154.21 46.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -129.22 159.5 35.88 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.2 t -102.9 109.28 60.97 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.947 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -54.78 166.53 1.96 Allowed 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.713 2.275 . . . . 0.0 112.735 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 65.5 ttp -111.39 88.65 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.913 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 4.3 tt0 -156.01 -168.62 2.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.567 ' CD2' HG23 ' A' ' 28' ' ' ILE . 68.0 t80 -61.91 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.72 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.567 HG23 ' CD2' ' A' ' 27' ' ' PHE . 9.1 pt -134.5 75.78 62.98 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 44.9 Cg_exo -58.85 146.22 93.93 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.819 2.346 . . . . 0.0 112.225 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -128.39 136.92 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.576 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.85 126.14 11.59 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -133.28 133.81 43.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.258 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 p . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.936 0.398 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -92.87 128.49 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.495 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -86.04 -162.06 0.7 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.266 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -57.74 129.07 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 110.672 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.14 31.74 81.75 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.073 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.543 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 80.7 mm-40 -112.08 28.3 8.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.135 -0.226 . . . . 0.0 111.445 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 53.8 t 59.15 138.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -143.53 -157.36 0.77 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 t 61.98 -130.47 0.65 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -57.31 -33.18 67.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.322 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.7 99.16 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mttm 177.06 -178.45 0.17 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -102.46 126.98 49.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.115 0.483 . . . . 0.0 109.962 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -66.16 151.02 47.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.968 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.7 m -59.57 -40.99 89.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.92 88.56 2.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.066 0.46 . . . . 0.0 110.457 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 21' ' ' PHE . 50.4 mt -65.22 -20.11 66.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.892 0.377 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -76.6 -47.78 21.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.459 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -86.3 -7.21 58.67 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.838 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LEU . 32.8 m-85 -132.72 158.68 41.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.597 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 34.8 p90 -133.17 161.06 35.44 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.4 m -102.79 108.83 59.58 Favored Pre-proline 0 CA--C 1.541 0.61 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.774 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.6 146.66 42.47 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.961 2.44 . . . . 0.0 112.007 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 25' ' ' MET . 14.1 tmm? -80.94 77.76 7.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.322 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -145.25 178.1 8.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.693 ' CD2' HG23 ' A' ' 28' ' ' ILE . 88.3 t80 -58.73 -46.38 87.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.265 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.693 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.3 pt -124.48 81.17 59.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.19 148.34 78.96 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -125.77 149.67 48.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.548 0.53 . . . . 0.0 110.685 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -68.94 112.63 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 61.7 mmtt -119.87 161.09 21.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.331 -0.203 0 O-C-N 123.505 0.503 . . . . 0.0 111.91 -179.427 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.817 0.341 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -93.59 116.29 28.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.464 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 6.7 tptp -76.04 -168.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.93 128.07 34.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.974 0.416 . . . . 0.0 111.326 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.99 3.19 89.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.464 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 78.0 mm-40 -88.1 152.62 21.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.22 134.06 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.85 -156.11 0.7 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.606 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t 63.43 -129.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -56.19 -32.34 64.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.409 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.34 -42.25 99.23 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -178.13 -155.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -121.32 131.87 54.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 5.5 t -71.48 129.94 40.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.681 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.47 -34.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.739 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -138.31 102.01 4.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.499 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.4 mt -84.17 -11.26 56.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 58.0 p30 -86.9 -20.16 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.508 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 36.1 m120 -111.11 -16.59 13.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -130.54 151.37 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 33.2 p90 -124.38 162.82 23.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.22 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.95 108.14 57.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.02 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.25 151.22 29.77 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 123.0 2.467 . . . . 0.0 112.192 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 61.4 tpp -81.59 90.61 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.098 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -159.71 -178.41 7.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.406 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.637 ' CD2' HG23 ' A' ' 28' ' ' ILE . 84.8 t80 -60.51 -46.69 89.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.694 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.637 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.5 pt -126.64 79.98 70.78 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.27 145.17 78.89 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.806 2.337 . . . . 0.0 112.073 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.2 m80 -123.45 148.89 45.74 Favored 'General case' 0 C--O 1.222 -0.367 0 O-C-N 123.358 0.411 . . . . 0.0 110.183 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.25 120.26 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.752 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 39.0 mmtm -127.07 129.56 48.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.262 0.553 . . . . 0.0 111.736 -179.619 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.662 ' SG ' ' N ' ' A' ' 3' ' ' ALA . 1.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.973 0.416 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.662 ' N ' ' SG ' ' A' ' 2' ' ' CYS . . . -96.97 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.48 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.434 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 68.0 mttm -83.27 -172.89 4.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.193 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.13 130.76 35.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.957 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.51 20.75 79.61 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.757 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 76.3 mm-40 -109.06 150.81 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.5 129.36 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.0 p -132.46 -156.98 0.79 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 t 64.18 -125.39 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.702 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.0 -32.64 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.91 -44.07 98.33 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.308 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -178.98 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -128.32 139.41 52.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.084 0.468 . . . . 0.0 109.94 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.76 147.37 33.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.71 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.651 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 92.8 m -59.2 -41.17 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.884 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -128.42 96.6 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.073 0.463 . . . . 0.0 110.454 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 mt -83.04 -6.38 59.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.567 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.22 -30.11 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -102.42 -15.55 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.049 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -129.0 162.28 27.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -133.44 161.75 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.11 108.16 55.65 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.36 151.84 16.92 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.439 2.092 . . . . 0.0 112.574 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.5 ptm -86.73 39.41 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.921 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.78 -178.64 3.73 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.0 110.418 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.88 -45.87 91.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.284 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.519 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 1.7 pt -124.06 82.44 56.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.157 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.57 140.6 93.85 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.803 2.335 . . . . 0.0 112.084 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.0 m80 -127.08 133.76 50.38 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.379 0.425 . . . . 0.0 110.273 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.8 m -48.55 122.38 5.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -132.82 128.54 36.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.524 0.678 . . . . 0.0 111.777 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.721 0.296 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -96.72 133.56 41.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.416 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 68.6 mttm -99.16 -168.99 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.18 128.18 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.8 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.62 -6.25 82.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 93.6 mt-10 -91.15 150.85 21.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.874 0.369 . . . . 0.0 110.442 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.03 139.93 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.906 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 p -128.68 164.07 23.73 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.43 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 12' ' ' GLY . 8.2 t 59.44 -148.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 49.44 17.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.677 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 10' ' ' SER . . . 117.67 2.04 17.25 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -126.68 150.49 48.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.86 129.9 56.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.203 0.525 . . . . 0.0 110.225 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.628 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 6.5 t -74.92 141.47 44.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.988 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -35.3 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.095 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.2 85.81 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 21' ' ' PHE . 36.5 mt -71.38 -19.62 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.896 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -76.84 -49.45 15.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.511 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -80.54 -14.61 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.907 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LEU . 31.8 m-85 -126.28 156.52 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.476 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 28.3 p90 -127.84 162.36 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.167 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.2 m -102.6 108.99 59.83 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.75 151.23 33.05 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.949 2.433 . . . . 0.0 112.279 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 mmt -85.14 68.94 10.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -136.53 177.09 8.12 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.18 -39.17 85.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.54 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.473 HD12 ' H ' ' A' ' 28' ' ' ILE . 1.1 pp -128.34 76.62 78.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.602 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.39 141.1 96.79 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.827 2.352 . . . . 0.0 112.201 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -120.06 147.84 44.32 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 123.351 0.407 . . . . 0.0 110.347 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 106.88 3.21 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.73 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 27.8 mmtp -111.38 127.91 55.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.8 tttt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 110.911 -179.099 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.727 0.298 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -78.59 147.99 33.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 59.9 mtpt -115.81 171.52 7.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -49.23 126.31 12.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.45 4.35 89.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 4' ' ' LYS . 75.1 tt0 -94.22 147.99 22.64 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.311 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.4 t -57.66 138.9 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.684 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 11' ' ' TRP . 19.2 p -133.71 156.38 48.05 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.68 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.7 t 72.0 -40.96 0.49 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.442 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 10.4 t90 -55.4 -5.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 146.75 1.73 0.6 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.99 148.34 52.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.378 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -107.75 134.03 51.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.933 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -58.57 125.64 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.82 -179.382 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.83 66.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.03 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.541 ' OD2' ' CE1' ' A' ' 21' ' ' PHE . 97.6 m-20 -76.56 -41.29 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt 41.38 20.17 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' ASP . 65.2 t0 -135.68 -67.54 0.53 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.901 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -80.88 -7.14 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE1' ' OD2' ' A' ' 17' ' ' ASP . 31.9 m-85 -122.42 148.88 44.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.059 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.0 p90 -123.75 159.75 28.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 t -104.79 108.89 62.17 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.764 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -54.58 167.94 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.305 2.003 . . . . 0.0 113.188 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.9 ttt -112.19 88.51 2.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.083 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 6.3 tt0 -156.82 -167.92 2.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CD2' HG23 ' A' ' 28' ' ' ILE . 72.9 t80 -61.71 -47.18 86.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.605 HG23 ' CD2' ' A' ' 27' ' ' PHE . 10.7 pt -134.12 75.1 66.54 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.181 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 52.7 Cg_exo -58.63 149.85 73.59 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.943 2.429 . . . . 0.0 112.295 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -130.74 140.98 50.36 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.778 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.9 m -56.86 125.36 22.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.09 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 28.4 tptp -136.55 135.61 38.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.175 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm . . . . . 0 C--O 1.234 0.241 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.181 179.393 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.848 0.356 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -72.73 136.63 45.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -95.25 171.36 8.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -50.32 128.76 20.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.237 0.541 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.01 2.16 90.31 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -91.76 150.74 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.346 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.3 t -57.99 135.05 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -142.62 160.09 40.98 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.41 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER 71.44 -42.14 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.458 ' H ' ' C ' ' A' ' 9' ' ' CYS . 82.8 t90 -55.42 -5.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.162 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 147.18 2.84 0.49 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.59 150.67 51.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 110.792 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -97.74 139.33 33.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.287 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 6.5 t -73.7 147.77 43.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.318 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.69 -41.0 89.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.671 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -124.62 91.57 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.42 -5.55 56.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -96.98 -7.28 33.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -130.23 -8.54 4.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.653 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 17.9 m-85 -129.4 161.23 30.82 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 40.3 p90 -136.17 161.07 36.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.234 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 97.8 m -103.14 108.83 60.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.76 159.37 1.57 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.833 2.355 . . . . 0.0 112.461 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -80.77 -4.39 54.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.922 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.46 155.61 28.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.096 0.474 . . . . 0.0 109.914 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.581 ' CD1' HG23 ' A' ' 28' ' ' ILE . 30.8 p90 -58.7 -12.2 3.97 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.748 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 27' ' ' PHE . 11.3 pt -135.97 73.09 60.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.141 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.27 138.93 80.33 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.55 2.167 . . . . 0.0 111.865 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.9 m80 -126.77 136.38 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.339 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.9 m -49.96 106.41 0.12 Allowed 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.181 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -118.18 127.21 53.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.751 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttt . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.362 0.601 . . . . 0.0 110.542 179.652 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.461 0.079 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -94.0 123.27 37.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.572 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.508 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 7.6 tptp -80.1 -168.08 1.52 Allowed 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.93 128.23 35.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.796 0.331 . . . . 0.0 111.277 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.39 86.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 77.4 mm-40 -87.02 153.13 21.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.133 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -61.34 127.67 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 31.1 p -138.32 114.45 10.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 110.342 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LYS . 41.2 t -175.26 -138.83 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 43.6 p-90 -60.44 -40.16 90.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -65.39 -46.85 84.29 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.779 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.3 mttt -146.27 165.09 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.603 0.24 . . . . 0.0 110.842 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -116.36 142.32 47.01 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.328 0.585 . . . . 0.0 109.944 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -64.25 134.68 55.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.844 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.78 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.762 0.315 . . . . 0.0 110.828 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -101.82 96.59 7.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -81.3 -10.94 59.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -87.22 -1.47 57.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -129.96 -32.05 1.88 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.91 146.91 43.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 35.6 p90 -118.06 162.39 18.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.195 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 94.2 m -104.36 107.6 58.08 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.573 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.7 151.36 10.88 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 122.907 2.405 . . . . 0.0 112.598 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.19 75.33 9.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.744 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -142.93 178.78 7.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.603 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.5 t80 -58.98 -45.72 89.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.603 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.6 pt -127.57 79.69 73.03 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.55 147.2 71.09 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.846 2.364 . . . . 0.0 112.044 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -124.11 129.63 51.18 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.56 0.538 . . . . 0.0 110.399 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.6 m -49.78 124.58 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.481 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 tppp? -138.11 128.4 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.717 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HG2' ' H ' ' A' ' 33' ' ' LYS . 9.0 ptpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.709 0.29 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -91.04 116.31 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 18.3 tptt -75.24 -169.68 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.096 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.1 128.23 34.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 0.0 111.331 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.95 87.47 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 79.6 mm-40 -84.79 153.25 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.58 134.71 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.593 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -139.17 164.95 28.46 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.078 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.3 -31.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.453 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -69.46 27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.528 . . . . 0.0 110.373 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.6 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 105.2 2.21 41.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -121.28 144.76 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.331 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -101.8 134.1 45.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.228 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 5.7 t -71.36 128.89 37.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.489 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.07 -37.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.111 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -134.5 86.38 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.01 -21.1 63.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 -36.35 62.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.729 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -94.92 -22.55 17.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -120.21 156.65 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.777 0.673 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 26.5 p90 -131.81 162.08 31.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.337 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 82.7 m -102.53 107.63 54.6 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.636 0.585 . . . . 0.0 111.351 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.07 152.92 22.57 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.879 2.386 . . . . 0.0 112.49 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mtm -86.88 82.8 7.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.277 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -152.56 -179.49 7.63 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.345 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.657 ' CD2' HG23 ' A' ' 28' ' ' ILE . 85.4 t80 -59.44 -46.38 88.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.447 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.657 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.9 pt -125.43 80.29 65.76 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -58.72 147.75 86.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.769 2.313 . . . . 0.0 112.224 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -128.43 149.28 50.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.373 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.7 m -65.77 117.24 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 67.6 mmtt -124.36 126.5 46.09 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.759 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 111.874 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.702 0.287 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.87 128.8 34.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.534 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.466 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 99.0 mttt -87.44 179.99 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.76 132.11 52.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.41 -5.53 84.28 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.447 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 90.0 mt-10 -91.28 148.83 22.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.347 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.6 t -66.7 134.03 30.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -134.34 -168.93 2.23 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.185 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.639 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 19.6 t 63.36 -100.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.558 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -57.94 -29.72 65.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.135 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.25 -79.98 1.47 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.6 mttt -124.02 -175.44 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.23 127.39 53.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.221 0.534 . . . . 0.0 109.684 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.31 133.35 50.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.851 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -26.45 13.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.178 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -139.66 76.44 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.421 . . . . 0.0 110.614 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.15 -38.04 63.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -101.71 -18.01 16.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -117.49 150.71 38.49 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.257 0.348 . . . . 0.0 110.262 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -129.09 160.71 31.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.449 ' O ' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.85 103.76 45.68 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 23' ' ' CYS . 51.5 Cg_exo -48.73 -174.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.28 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -131.15 41.7 3.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 28' ' ' ILE . 87.8 tt0 -112.22 74.9 0.89 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.2 t80 61.16 -67.6 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.221 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt -119.97 85.52 34.86 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 152.43 47.65 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.905 2.403 . . . . 0.0 112.125 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -132.51 138.94 47.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.493 0.496 . . . . 0.0 110.522 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.8 m -53.04 118.23 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -131.98 128.01 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.7 tttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.884 -179.443 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.46 0.055 0 CA-C-O 120.671 0.272 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -92.03 118.78 31.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.419 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 63.4 mttp -79.36 -175.09 4.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.56 135.26 57.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 111.041 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.05 3.57 84.97 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.159 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.412 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 72.2 mm-40 -93.06 153.63 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.63 -179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.3 135.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.467 ' C ' ' H ' ' A' ' 11' ' ' TRP . 31.2 p -139.87 166.78 23.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.128 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 m 74.55 -28.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.025 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.467 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -71.23 39.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.539 0.685 . . . . 0.0 109.888 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 97.23 -4.92 62.74 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -115.29 154.18 29.57 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.837 0.351 . . . . 0.0 110.409 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -110.06 139.82 44.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 0.0 110.301 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.74 129.12 37.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.507 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -31.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.958 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.26 96.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -84.16 -8.98 58.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.876 0.37 . . . . 0.0 110.579 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -92.89 3.95 54.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -139.12 -22.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -119.07 154.3 33.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.538 0.524 . . . . 0.0 110.22 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.7 p90 -129.96 161.01 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.261 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.504 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 91.1 m -103.62 108.5 59.65 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.44 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.21 148.0 26.21 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.811 2.341 . . . . 0.0 112.744 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.426 ' HG2' ' H ' ' A' ' 25' ' ' MET . 14.8 ptp -79.86 65.76 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -133.49 178.54 6.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.4 t80 -59.29 -43.35 92.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.235 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' ' 27' ' ' PHE . 7.2 pt -127.13 79.22 73.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.638 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.5 141.54 90.2 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.742 2.295 . . . . 0.0 112.064 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -121.93 134.07 54.85 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.575 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 m -52.61 118.44 3.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.366 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 27.3 tptp -130.89 128.16 39.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.45 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.371 -179.689 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 38.1 t . . . . . 0 CA--C 1.518 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -106.51 115.19 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.696 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.414 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 6.8 tptm -78.14 -161.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.935 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.2 132.41 51.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.516 . . . . 0.0 111.465 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.06 16.5 78.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.558 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 75.8 mm-40 -103.01 151.37 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.189 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 136.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.109 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.7 p -135.36 167.15 21.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.515 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.486 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 48.2 m 62.25 -23.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.366 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.631 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.56 39.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 109.87 179.453 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 93.08 7.53 62.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -128.17 148.81 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.358 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.8 135.82 49.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.361 0.6 . . . . 0.0 109.89 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.89 141.95 51.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.052 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.62 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 89.2 m -59.44 -41.88 90.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.625 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -123.38 80.2 1.76 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.609 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.08 -14.99 62.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.96 -37.63 61.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.6 -22.63 13.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.223 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -114.21 144.24 43.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 32.7 p90 -117.24 161.71 19.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.124 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 16.9 t -106.75 106.75 58.84 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.052 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.43 163.43 1.74 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.374 2.049 . . . . 0.0 113.287 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mtt -107.78 61.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 99.4 mt-10 -127.01 -171.4 2.4 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.212 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.591 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.9 t80 -60.75 -46.83 88.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.413 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.591 HG23 ' CD2' ' A' ' 27' ' ' PHE . 8.2 pt -130.81 75.91 77.98 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 49.6 Cg_exo -58.97 145.27 98.04 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.98 2.453 . . . . 0.0 112.483 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 93.6 m-70 -129.87 138.01 50.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.456 0.472 . . . . 0.0 110.283 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.3 m -52.03 127.9 22.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.256 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 19.9 tptm -137.93 129.49 28.06 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.994 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.268 179.656 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 11.6 t . . . . . 0 CA--C 1.518 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 111.292 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -87.66 117.42 26.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.625 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -90.04 -179.26 5.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.156 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -53.47 127.55 25.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.52 . . . . 0.0 111.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.73 15.44 73.54 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -98.96 141.93 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.426 HG22 ' NE2' ' A' ' 30' ' ' HIS . 72.5 t -54.21 134.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' SER . 31.5 p -136.88 170.15 16.57 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.304 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER 81.11 -26.48 0.15 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.893 -179.752 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.83 38.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.532 0.682 . . . . 0.0 109.942 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 -1.02 71.1 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -115.33 148.96 38.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.482 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.75 134.97 49.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.301 0.572 . . . . 0.0 110.156 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.67 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 7.8 t -65.49 136.31 56.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.889 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.598 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 84.6 m -50.02 -11.62 0.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.557 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' N ' ' C ' ' A' ' 15' ' ' CYS . 45.7 m-20 -160.07 87.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.772 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' PHE . 67.6 mt -68.01 -21.24 65.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.09 -49.34 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -81.52 -25.0 36.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.937 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LEU . 46.4 m-85 -119.94 156.36 30.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.211 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 25.8 p90 -132.36 161.81 32.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.316 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.3 m -103.26 107.73 56.6 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 123.705 0.628 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 30' ' ' HIS . 53.7 Cg_exo -50.02 157.55 2.76 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 ptm -87.27 42.22 1.02 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.274 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -111.43 174.89 5.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.168 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.46 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.804 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 14.2 pt -139.99 69.43 35.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.13 136.75 71.0 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.501 2.134 . . . . 0.0 111.813 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 79.6 m80 -123.49 152.64 41.52 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.359 0.412 . . . . 0.0 110.115 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.4 m -66.3 113.15 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 35.9 mmtm -123.55 135.31 53.93 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.204 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.311 0.577 . . . . 0.0 112.097 179.781 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.923 0.392 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.8 125.11 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.398 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 64.6 mttp -81.17 -173.21 4.19 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.4 137.75 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.51 6.7 86.88 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 61.9 mt-10 -101.13 150.69 22.67 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.517 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.86 136.89 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 10' ' ' SER . 31.8 p -142.77 164.84 29.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.443 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.96 -34.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.695 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -67.54 28.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.133 0.492 . . . . 0.0 110.435 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.623 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 106.87 6.91 34.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -125.49 150.17 47.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.443 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -104.53 131.76 51.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 110.247 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.84 151.11 47.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.9 m -60.16 -24.45 64.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.72 84.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.83 -20.6 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.15 -37.39 64.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -98.2 -26.33 14.59 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.13 156.55 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.448 0.468 . . . . 0.0 110.5 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.5 p90 -134.58 162.65 31.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.23 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.5 106.73 55.52 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.548 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -52.48 150.46 20.9 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.843 2.362 . . . . 0.0 112.767 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.429 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 62.3 ttp -90.2 70.8 7.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 56.4 mp0 -138.61 -177.45 4.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.496 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.636 ' CD2' HG23 ' A' ' 28' ' ' ILE . 85.3 t80 -58.92 -46.56 87.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.636 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.4 pt -127.58 79.81 72.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.51 151.77 59.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 123.064 2.51 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -136.18 139.97 43.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.586 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.97 118.65 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 22.3 tptp -132.43 128.53 37.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.404 179.852 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.567 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -84.07 131.07 34.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.59 170.71 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.17 127.16 18.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.97 3.17 89.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -92.23 150.64 20.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -58.39 134.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.531 ' C ' ' H ' ' A' ' 11' ' ' TRP . 29.8 p -138.98 167.51 21.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.6 m 71.87 -29.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.749 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -69.73 40.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 0.0 110.337 179.399 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 96.32 5.28 59.31 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -131.5 149.6 52.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.774 0.321 . . . . 0.0 110.606 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -103.97 142.75 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.465 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.567 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 4.8 t -72.05 127.22 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.077 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -36.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.758 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -132.19 100.03 4.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.3 -5.65 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -92.45 0.13 57.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -137.06 -22.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -118.31 157.44 27.07 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.485 0.491 . . . . 0.0 110.398 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.6 p90 -134.26 161.43 34.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.186 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 94.6 m -104.33 109.16 62.21 Favored Pre-proline 0 N--CA 1.449 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.47 146.2 26.34 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.77 2.313 . . . . 0.0 112.141 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 78.8 mtm -78.47 67.15 4.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.669 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -137.16 173.88 11.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.395 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -70.83 -10.84 60.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 13.0 pt -143.51 68.89 17.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.274 0.559 . . . . 0.0 110.643 179.004 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.36 139.91 85.24 Favored 'Trans proline' 0 C--N 1.302 -1.91 0 C-N-CA 122.707 2.271 . . . . 0.0 112.156 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.0 m80 -125.48 133.5 52.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.429 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.8 m -52.15 115.99 1.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.51 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 55.3 tptt -126.58 126.0 42.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.579 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 179.322 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -75.53 106.3 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 59.2 mtpt -70.8 -179.31 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.307 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.86 128.22 35.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.051 0.453 . . . . 0.0 110.734 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.08 -6.66 83.44 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 11.2 mm-40 -84.5 151.11 24.81 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.921 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.35 133.58 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.981 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' C ' ' H ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -135.42 171.97 13.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 75.11 -33.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.452 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -70.24 21.31 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.295 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 118.51 -0.04 15.93 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -128.49 148.66 50.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.462 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -106.63 134.82 49.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.214 0.531 . . . . 0.0 110.22 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 4.9 t -64.01 155.66 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.973 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.34 -40.27 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -132.69 84.17 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.618 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.62 -15.65 63.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.61 -32.36 53.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -108.17 -12.04 15.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.817 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -125.16 158.23 34.46 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.368 0.417 . . . . 0.0 110.719 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -139.69 164.62 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.004 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.25 109.42 58.62 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD2' ' H ' ' A' ' 30' ' ' HIS . 68.3 Cg_exo -52.56 147.55 30.01 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.879 2.386 . . . . 0.0 112.589 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -85.17 67.91 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.643 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -134.81 -179.08 5.39 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.318 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CD2' HG23 ' A' ' 28' ' ' ILE . 83.9 t80 -59.55 -44.78 93.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.1 pt -126.08 79.41 69.45 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.98 149.43 79.47 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.93 2.42 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 61.2 m80 -137.71 137.09 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.378 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -43.31 119.28 1.54 Allowed 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -135.93 136.5 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.2 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.718 0.294 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -98.25 132.94 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.675 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.495 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 68.1 mttm -94.55 -167.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.565 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.0 127.03 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.07 0.462 . . . . 0.0 110.965 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.87 -6.7 82.51 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.413 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.495 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 78.2 mm-40 -86.75 146.7 26.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.771 0.319 . . . . 0.0 110.629 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.11 141.3 17.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.42 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.611 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.3 p -136.27 165.5 25.62 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.261 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.448 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 58.8 m 63.35 -28.9 0.09 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.626 0.579 . . . . 0.0 111.1 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.611 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.93 46.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.751 0.786 . . . . 0.0 109.693 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.08 -0.23 72.11 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.04 145.81 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.56 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -109.34 138.54 45.53 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.64 146.54 54.37 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.869 -1.059 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.64 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.905 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.58 68.18 2.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.14 -16.89 55.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -74.74 -39.07 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -106.16 -7.39 17.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.827 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' CE2' ' CG ' ' A' ' 33' ' ' LYS . 22.4 m-85 -127.98 154.18 45.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -131.54 168.54 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 12.2 t -103.42 107.28 55.4 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -58.16 -172.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.05 1.834 . . . . 0.0 112.991 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 64.7 ttp -140.82 94.52 2.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.55 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 28' ' ' ILE . 76.9 tt0 -163.42 57.05 0.18 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.467 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 67.92 -44.72 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.55 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 9.3 pt -134.56 73.3 68.26 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.54 144.4 99.43 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.8 2.333 . . . . 0.0 112.488 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 72.8 m80 -131.13 134.72 46.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.613 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.31 126.07 2.68 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -138.68 142.45 38.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' CG ' ' CE2' ' A' ' 21' ' ' PHE . 37.6 mtpt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.732 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 7' ' ' GLU . . . -75.35 125.42 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.42 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.43 177.85 7.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.8 132.0 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.1 1.09 90.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 3' ' ' ALA . 3.2 tm-20 -94.4 146.43 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.994 0.426 . . . . 0.0 110.046 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.519 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 53.3 t -54.91 139.64 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.621 ' C ' ' H ' ' A' ' 11' ' ' TRP . 23.8 p -137.21 168.22 20.04 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 12' ' ' GLY . 74.0 m 63.03 -25.89 0.06 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.47 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.621 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.25 40.8 0.22 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 110.111 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 10.07 60.63 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -134.82 134.1 40.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.523 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -92.58 136.47 33.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.244 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.02 150.43 45.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.465 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -60.45 -40.59 91.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -131.15 82.39 2.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.754 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.27 -21.7 66.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -75.06 -35.48 61.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -103.44 -7.52 20.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.93 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -131.49 154.97 48.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 110.88 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -133.23 179.44 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.794 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.5 m -109.19 99.67 37.16 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.6 142.98 70.55 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 123.144 2.562 . . . . 0.0 112.033 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 mmt -90.66 80.21 5.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' A' ' 28' ' ' ILE . 98.8 mt-10 -141.51 40.9 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 70.29 -37.16 0.37 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.523 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 7.1 pt -131.22 77.04 75.22 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.224 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.03 139.37 87.37 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.623 2.215 . . . . 0.0 112.546 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 75.7 m80 -128.32 130.89 48.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' HIS . 32.5 m -38.47 98.6 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.149 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' HIS . 49.1 tptt -111.97 131.09 55.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.765 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.627 -179.485 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.779 0.323 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.54 128.55 56.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -90.12 167.74 12.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.438 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -46.88 129.51 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.712 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 3.56 90.52 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -97.73 145.42 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -55.58 132.61 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.688 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -130.64 -156.93 0.79 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.78 0.324 . . . . 0.0 110.357 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t 63.98 -123.6 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -55.52 -33.04 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.467 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.4 -42.93 99.68 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 tttt 179.27 -156.76 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -114.08 134.13 55.08 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.071 0.462 . . . . 0.0 109.969 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.38 132.1 45.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.371 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -41.19 -36.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 16' ' ' CYS . 95.1 m-20 -138.59 88.3 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' PHE . 37.7 mt -69.01 -22.93 64.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.36 -36.28 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -97.52 -14.1 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 18' ' ' LEU . 56.0 m-85 -131.13 159.19 38.38 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.71 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.23 167.21 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.867 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.4 m -102.22 107.98 55.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.453 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.14 145.29 20.46 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.64 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.25 70.77 1.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.515 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.89 170.45 15.7 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -68.77 -15.44 63.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.419 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.537 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 15.4 pt -140.23 70.33 33.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.93 141.49 94.72 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.772 2.314 . . . . 0.0 112.151 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.9 m80 -124.35 134.99 52.99 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.432 0.458 . . . . 0.0 109.969 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.3 m -44.26 118.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -136.5 132.34 35.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.631 -179.778 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.755 0.312 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.39 131.48 36.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 26.8 mtpp -96.95 169.63 9.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -46.83 128.11 10.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.87 90.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 41.2 tp10 -96.69 144.41 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.385 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.61 133.39 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.708 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 p -129.01 -154.52 0.64 Allowed 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.235 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m 64.25 -126.62 0.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 49.1 p-90 -57.26 -33.06 67.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.325 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -62.33 -40.97 99.72 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 175.94 -171.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.67 0.271 . . . . 0.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.022 0.439 . . . . 0.0 110.136 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.1 t -69.06 129.11 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.991 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.29 -37.19 0.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -134.01 88.03 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.781 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.83 -21.27 62.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -76.15 -34.86 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -98.56 -12.87 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.811 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -132.9 156.36 47.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -132.61 170.19 15.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.431 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.5 m -103.56 108.07 58.17 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.13 146.1 40.01 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.696 2.264 . . . . 0.0 112.249 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 97.7 mtp -77.28 72.23 3.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.679 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -139.22 177.16 8.11 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.294 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 28' ' ' ILE . 87.4 t80 -58.54 -45.34 89.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.212 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 27' ' ' PHE . 5.5 pt -126.43 79.89 70.11 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.273 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.22 141.26 88.29 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.946 2.43 . . . . 0.0 112.135 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.7 m80 -123.6 134.89 53.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.633 0.583 . . . . 0.0 110.607 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.8 m -43.7 115.97 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.107 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -130.23 131.83 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.2 p -155.3 167.46 30.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.73 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -94.05 112.24 24.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.698 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 63.4 mttp -73.97 -177.89 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.74 128.5 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.66 -3.97 86.01 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 77.3 mm-40 -85.02 152.96 23.06 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.514 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.88 127.34 31.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.024 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 p -113.03 -170.73 1.73 Allowed 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t 65.68 -114.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -54.22 -29.7 47.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.1 -86.39 0.41 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.94 -171.04 2.92 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.852 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -107.83 124.72 50.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.425 0.631 . . . . 0.0 109.712 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.88 129.74 31.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.88 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.01 -53.93 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.825 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -115.23 87.75 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.558 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -68.46 -17.19 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -74.58 -42.21 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.12 -13.67 24.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -128.95 154.21 46.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -129.22 159.5 35.88 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.2 t -102.9 109.28 60.97 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.947 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -54.78 166.53 1.96 Allowed 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.713 2.275 . . . . 0.0 112.735 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 65.5 ttp -111.39 88.65 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.913 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 4.3 tt0 -156.01 -168.62 2.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.567 ' CD2' HG23 ' A' ' 28' ' ' ILE . 68.0 t80 -61.91 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.72 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.567 HG23 ' CD2' ' A' ' 27' ' ' PHE . 9.1 pt -134.5 75.78 62.98 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 44.9 Cg_exo -58.85 146.22 93.93 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.819 2.346 . . . . 0.0 112.225 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -128.39 136.92 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.576 178.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.85 126.14 11.59 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -133.28 133.81 43.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -74.55 135.82 42.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.258 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -155.04 159.09 40.04 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.324 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -152.32 58.53 2.6 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.773 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.13 148.71 75.7 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.541 2.161 . . . . 0.0 112.236 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -138.85 -10.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.007 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.633 HG13 ' O ' ' A' ' 38' ' ' VAL . 7.8 p -138.75 71.93 42.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -58.13 144.79 94.6 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.931 2.421 . . . . 0.0 112.011 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.93 157.25 43.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.561 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 41' ' ' THR . 1.7 t -60.77 145.07 50.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.597 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 59.8 p30 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 p -157.96 168.17 27.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -92.87 128.49 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.495 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -86.04 -162.06 0.7 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.266 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -57.74 129.07 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 110.672 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.14 31.74 81.75 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.073 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.543 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 80.7 mm-40 -112.08 28.3 8.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.135 -0.226 . . . . 0.0 111.445 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 53.8 t 59.15 138.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -143.53 -157.36 0.77 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 t 61.98 -130.47 0.65 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -57.31 -33.18 67.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.322 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.7 99.16 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mttm 177.06 -178.45 0.17 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -102.46 126.98 49.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.115 0.483 . . . . 0.0 109.962 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -66.16 151.02 47.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.968 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.7 m -59.57 -40.99 89.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.92 88.56 2.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.066 0.46 . . . . 0.0 110.457 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 21' ' ' PHE . 50.4 mt -65.22 -20.11 66.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.892 0.377 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -76.6 -47.78 21.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.459 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -86.3 -7.21 58.67 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.838 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LEU . 32.8 m-85 -132.72 158.68 41.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.597 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 34.8 p90 -133.17 161.06 35.44 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.4 m -102.79 108.83 59.58 Favored Pre-proline 0 CA--C 1.541 0.61 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.774 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.6 146.66 42.47 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.961 2.44 . . . . 0.0 112.007 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.508 ' SD ' ' O ' ' A' ' 25' ' ' MET . 14.1 tmm? -80.94 77.76 7.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.322 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -145.25 178.1 8.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.693 ' CD2' HG23 ' A' ' 28' ' ' ILE . 88.3 t80 -58.73 -46.38 87.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.265 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.693 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.3 pt -124.48 81.17 59.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.19 148.34 78.96 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -125.77 149.67 48.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.548 0.53 . . . . 0.0 110.685 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -68.94 112.63 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 61.7 mmtt -119.87 161.09 21.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' TYR . 98.8 mttt -97.05 64.42 1.97 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.505 0.503 . . . . 0.0 111.91 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' LYS . 75.7 m-85 33.01 -149.13 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.007 0.192 . . . . 0.0 110.936 178.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -131.69 56.94 26.92 Favored Pre-proline 0 N--CA 1.45 -0.451 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 50.8 Cg_endo -69.58 147.06 63.2 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.556 2.171 . . . . 0.0 111.819 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -110.3 -0.42 17.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.3 m -132.8 148.04 67.88 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.25 148.89 62.9 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.404 2.069 . . . . 0.0 112.389 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.39 -45.03 99.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.5 m -74.12 130.76 40.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.579 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p -156.03 169.0 25.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.608 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -93.59 116.29 28.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 6.7 tptp -76.04 -168.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.93 128.07 34.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.974 0.416 . . . . 0.0 111.326 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.99 3.19 89.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.464 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 78.0 mm-40 -88.1 152.62 21.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.22 134.06 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.85 -156.11 0.7 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.606 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t 63.43 -129.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -56.19 -32.34 64.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.409 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.34 -42.25 99.23 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -178.13 -155.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -121.32 131.87 54.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 5.5 t -71.48 129.94 40.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.681 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.47 -34.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.739 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -138.31 102.01 4.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.499 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.4 mt -84.17 -11.26 56.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.508 ' OD1' ' N ' ' A' ' 20' ' ' ASN . 58.0 p30 -86.9 -20.16 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.508 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 36.1 m120 -111.11 -16.59 13.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -130.54 151.37 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 33.2 p90 -124.38 162.82 23.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.22 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.95 108.14 57.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.02 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.25 151.22 29.77 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 123.0 2.467 . . . . 0.0 112.192 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 61.4 tpp -81.59 90.61 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.098 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -159.71 -178.41 7.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.406 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.637 ' CD2' HG23 ' A' ' 28' ' ' ILE . 84.8 t80 -60.51 -46.69 89.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.694 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.637 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.5 pt -126.64 79.98 70.78 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.27 145.17 78.89 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.806 2.337 . . . . 0.0 112.073 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.2 m80 -123.45 148.89 45.74 Favored 'General case' 0 C--O 1.222 -0.367 0 O-C-N 123.358 0.411 . . . . 0.0 110.183 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.25 120.26 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.752 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 39.0 mmtm -127.07 129.56 48.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -68.22 134.8 51.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.262 0.553 . . . . 0.0 111.736 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.97 167.39 30.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.973 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.87 86.3 57.83 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.073 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.66 158.14 47.54 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.959 1.773 . . . . 0.0 112.378 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -150.74 160.11 44.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.467 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -112.18 147.68 37.47 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.19 158.9 54.94 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.474 2.116 . . . . 0.0 112.224 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m -128.81 157.93 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.484 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 t -147.51 151.53 36.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.492 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.662 ' SG ' ' N ' ' A' ' 3' ' ' ALA . 1.2 t -154.37 161.68 41.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.791 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.662 ' N ' ' SG ' ' A' ' 2' ' ' CYS . . . -96.97 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.48 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 68.0 mttm -83.27 -172.89 4.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.193 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.13 130.76 35.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.957 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.51 20.75 79.61 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.757 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 76.3 mm-40 -109.06 150.81 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.5 129.36 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.0 p -132.46 -156.98 0.79 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 t 64.18 -125.39 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.702 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.0 -32.64 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.91 -44.07 98.33 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.308 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -178.98 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -128.32 139.41 52.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.084 0.468 . . . . 0.0 109.94 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.76 147.37 33.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.71 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.651 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 92.8 m -59.2 -41.17 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.884 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -128.42 96.6 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.073 0.463 . . . . 0.0 110.454 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 mt -83.04 -6.38 59.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.567 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.22 -30.11 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -102.42 -15.55 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.049 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -129.0 162.28 27.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -133.44 161.75 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.11 108.16 55.65 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.36 151.84 16.92 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.439 2.092 . . . . 0.0 112.574 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.5 ptm -86.73 39.41 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.921 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.78 -178.64 3.73 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.0 110.418 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.88 -45.87 91.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.284 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.519 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 1.7 pt -124.06 82.44 56.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.157 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.57 140.6 93.85 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.803 2.335 . . . . 0.0 112.084 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.0 m80 -127.08 133.76 50.38 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.379 0.425 . . . . 0.0 110.273 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.8 m -48.55 122.38 5.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -132.82 128.54 36.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 136.3 53.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.524 0.678 . . . . 0.0 111.777 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -156.93 164.21 38.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.714 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' H ' ' HD2' ' A' ' 35' ' ' LYS . 13.7 mptt 35.68 58.65 2.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.095 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.84 154.74 58.63 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.705 2.27 . . . . 0.0 112.139 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -116.33 -113.59 0.34 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.413 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -132.87 71.05 78.62 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.347 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.42 158.13 44.63 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.483 2.122 . . . . 0.0 112.292 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.2 t -76.05 126.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.738 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 t -152.31 156.86 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.586 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.8 p -154.64 170.31 21.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.603 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -96.72 133.56 41.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 68.6 mttm -99.16 -168.99 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.18 128.18 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.8 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.62 -6.25 82.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 93.6 mt-10 -91.15 150.85 21.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.874 0.369 . . . . 0.0 110.442 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.03 139.93 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.906 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 p -128.68 164.07 23.73 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.43 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 12' ' ' GLY . 8.2 t 59.44 -148.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 49.44 17.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.677 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 10' ' ' SER . . . 117.67 2.04 17.25 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -126.68 150.49 48.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.86 129.9 56.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.203 0.525 . . . . 0.0 110.225 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.628 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 6.5 t -74.92 141.47 44.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.988 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -35.3 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.095 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.2 85.81 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 21' ' ' PHE . 36.5 mt -71.38 -19.62 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.896 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -76.84 -49.45 15.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.511 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -80.54 -14.61 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.907 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LEU . 31.8 m-85 -126.28 156.52 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.476 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 28.3 p90 -127.84 162.36 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.167 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.2 m -102.6 108.99 59.83 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.75 151.23 33.05 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.949 2.433 . . . . 0.0 112.279 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 mmt -85.14 68.94 10.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -136.53 177.09 8.12 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.18 -39.17 85.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.54 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.473 HD12 ' H ' ' A' ' 28' ' ' ILE . 1.1 pp -128.34 76.62 78.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.602 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.39 141.1 96.79 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.827 2.352 . . . . 0.0 112.201 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 93.5 m-70 -120.06 147.84 44.32 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 123.351 0.407 . . . . 0.0 110.347 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 106.88 3.21 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.73 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 27.8 mmtp -111.38 127.91 55.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -70.53 129.87 40.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 110.911 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -150.17 159.63 44.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.226 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' TYR . 14.1 mptt 33.24 64.03 1.43 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -49.47 -65.19 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.441 2.094 . . . . 0.0 112.242 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -142.46 159.77 41.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 38' ' ' VAL . 33.2 m -129.55 67.1 78.53 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.639 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.43 157.07 49.77 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.752 2.301 . . . . 0.0 112.103 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.5 t -100.82 123.7 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.6 t -72.34 146.48 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.661 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -154.21 162.02 41.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -78.59 147.99 33.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 59.9 mtpt -115.81 171.52 7.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -49.23 126.31 12.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.45 4.35 89.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 4' ' ' LYS . 75.1 tt0 -94.22 147.99 22.64 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.311 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.4 t -57.66 138.9 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.684 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 11' ' ' TRP . 19.2 p -133.71 156.38 48.05 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.68 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.7 t 72.0 -40.96 0.49 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.442 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 10.4 t90 -55.4 -5.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 146.75 1.73 0.6 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.99 148.34 52.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.378 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -107.75 134.03 51.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.933 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -58.57 125.64 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.82 -179.382 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.83 66.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.03 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.541 ' OD2' ' CE1' ' A' ' 21' ' ' PHE . 97.6 m-20 -76.56 -41.29 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt 41.38 20.17 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' ASP . 65.2 t0 -135.68 -67.54 0.53 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.901 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -80.88 -7.14 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE1' ' OD2' ' A' ' 17' ' ' ASP . 31.9 m-85 -122.42 148.88 44.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.059 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.0 p90 -123.75 159.75 28.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 t -104.79 108.89 62.17 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.764 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -54.58 167.94 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.305 2.003 . . . . 0.0 113.188 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.9 ttt -112.19 88.51 2.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.083 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 6.3 tt0 -156.82 -167.92 2.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CD2' HG23 ' A' ' 28' ' ' ILE . 72.9 t80 -61.71 -47.18 86.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.605 HG23 ' CD2' ' A' ' 27' ' ' PHE . 10.7 pt -134.12 75.1 66.54 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.181 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 52.7 Cg_exo -58.63 149.85 73.59 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.943 2.429 . . . . 0.0 112.295 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -130.74 140.98 50.36 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.778 178.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.9 m -56.86 125.36 22.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.09 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 28.4 tptp -136.55 135.61 38.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.175 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -70.86 135.55 48.13 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.181 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -151.25 169.73 21.22 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.309 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -131.06 90.39 39.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.792 -178.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -77.33 19.81 0.7 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.066 1.844 . . . . 0.0 112.617 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 69.88 19.5 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -139.48 71.68 38.03 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.37 -35.47 98.87 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 123.008 2.472 . . . . 0.0 112.071 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.85 160.63 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.672 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.7 m -113.11 128.48 56.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.658 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.7 p -157.37 164.55 37.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.202 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -72.73 136.63 45.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -95.25 171.36 8.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -50.32 128.76 20.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.237 0.541 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.01 2.16 90.31 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -91.76 150.74 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.346 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.3 t -57.99 135.05 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -142.62 160.09 40.98 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.41 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER 71.44 -42.14 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.458 ' H ' ' C ' ' A' ' 9' ' ' CYS . 82.8 t90 -55.42 -5.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.162 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 147.18 2.84 0.49 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.59 150.67 51.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 110.792 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -97.74 139.33 33.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.287 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 6.5 t -73.7 147.77 43.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.318 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.69 -41.0 89.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.671 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -124.62 91.57 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.42 -5.55 56.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -96.98 -7.28 33.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -130.23 -8.54 4.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.653 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 17.9 m-85 -129.4 161.23 30.82 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 40.3 p90 -136.17 161.07 36.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.234 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 97.8 m -103.14 108.83 60.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.76 159.37 1.57 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.833 2.355 . . . . 0.0 112.461 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -80.77 -4.39 54.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.922 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.46 155.61 28.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.096 0.474 . . . . 0.0 109.914 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.581 ' CD1' HG23 ' A' ' 28' ' ' ILE . 30.8 p90 -58.7 -12.2 3.97 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.748 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 27' ' ' PHE . 11.3 pt -135.97 73.09 60.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.141 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.27 138.93 80.33 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.55 2.167 . . . . 0.0 111.865 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.9 m80 -126.77 136.38 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.339 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.9 m -49.96 106.41 0.12 Allowed 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.181 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -118.18 127.21 53.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.751 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -76.71 141.7 40.78 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.362 0.601 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.48 ' HD1' ' H ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -149.43 -158.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.482 -178.885 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.37 98.13 47.98 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.628 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.61 145.33 38.69 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 122.6 2.2 . . . . 0.0 112.108 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -109.32 146.74 33.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.443 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -62.59 149.07 89.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.957 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.49 155.62 68.45 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.427 2.085 . . . . 0.0 112.139 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.7 145.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.417 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m 63.55 81.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.427 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.54 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.8 p -158.14 169.12 25.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -94.0 123.27 37.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.572 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 7.6 tptp -80.1 -168.08 1.52 Allowed 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.93 128.23 35.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.796 0.331 . . . . 0.0 111.277 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.39 86.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 77.4 mm-40 -87.02 153.13 21.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.133 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -61.34 127.67 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 9' ' ' CYS . 31.1 p -138.32 114.45 10.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 110.342 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LYS . 41.2 t -175.26 -138.83 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 43.6 p-90 -60.44 -40.16 90.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -65.39 -46.85 84.29 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.779 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.3 mttt -146.27 165.09 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.603 0.24 . . . . 0.0 110.842 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -116.36 142.32 47.01 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.328 0.585 . . . . 0.0 109.944 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -64.25 134.68 55.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.844 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.78 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.762 0.315 . . . . 0.0 110.828 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -101.82 96.59 7.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -81.3 -10.94 59.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -87.22 -1.47 57.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -129.96 -32.05 1.88 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.91 146.91 43.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 35.6 p90 -118.06 162.39 18.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.195 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 94.2 m -104.36 107.6 58.08 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.573 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.7 151.36 10.88 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 122.907 2.405 . . . . 0.0 112.598 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.19 75.33 9.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.744 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -142.93 178.78 7.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.603 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.5 t80 -58.98 -45.72 89.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.603 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.6 pt -127.57 79.69 73.03 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.55 147.2 71.09 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.846 2.364 . . . . 0.0 112.044 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.5 m-70 -124.11 129.63 51.18 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.56 0.538 . . . . 0.0 110.399 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.6 m -49.78 124.58 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.481 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 tppp? -138.11 128.4 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.717 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HG2' ' H ' ' A' ' 33' ' ' LYS . 9.0 ptpt -66.94 139.15 57.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -155.63 164.94 37.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.848 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -21.31 86.06 0.04 OUTLIER Pre-proline 0 N--CA 1.474 0.756 0 O-C-N 124.752 1.282 . . . . 0.0 110.807 -179.809 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' N ' ' O ' ' A' ' 34' ' ' TYR . 31.4 Cg_exo -58.82 151.83 61.64 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 123.004 2.47 . . . . 0.0 111.956 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -102.36 141.75 34.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.293 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.83 71.8 81.45 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.557 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.14 159.8 43.61 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.831 2.354 . . . . 0.0 112.206 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.6 t -67.63 127.91 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.2 m -124.75 130.31 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.638 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.591 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 p -151.6 164.94 35.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.44 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -91.04 116.31 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 18.3 tptt -75.24 -169.68 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.096 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.1 128.23 34.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 0.0 111.331 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.95 87.47 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 79.6 mm-40 -84.79 153.25 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.58 134.71 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.593 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -139.17 164.95 28.46 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.078 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.3 -31.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.453 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -69.46 27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.528 . . . . 0.0 110.373 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.6 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 105.2 2.21 41.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -121.28 144.76 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.331 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -101.8 134.1 45.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.228 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 5.7 t -71.36 128.89 37.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.489 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.07 -37.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.111 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -134.5 86.38 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.01 -21.1 63.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 -36.35 62.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.729 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -94.92 -22.55 17.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -120.21 156.65 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.777 0.673 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 26.5 p90 -131.81 162.08 31.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.337 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 82.7 m -102.53 107.63 54.6 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.636 0.585 . . . . 0.0 111.351 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.07 152.92 22.57 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.879 2.386 . . . . 0.0 112.49 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mtm -86.88 82.8 7.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.277 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -152.56 -179.49 7.63 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.345 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.657 ' CD2' HG23 ' A' ' 28' ' ' ILE . 85.4 t80 -59.44 -46.38 88.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.447 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.657 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.9 pt -125.43 80.29 65.76 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -58.72 147.75 86.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.769 2.313 . . . . 0.0 112.224 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -128.43 149.28 50.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.373 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.7 m -65.77 117.24 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 67.6 mmtt -124.36 126.5 46.09 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.759 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -68.97 129.59 40.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 111.874 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.593 ' CE1' ' NZ ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -145.93 -6.22 0.59 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.928 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' NZ ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -127.43 70.6 76.29 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-O 121.424 0.63 . . . . 0.0 111.315 179.032 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.65 176.27 10.08 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 123.021 2.481 . . . . 0.0 111.519 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -110.04 140.81 43.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.09 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.16 122.3 82.17 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.828 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.6 162.97 34.84 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.077 1.852 . . . . 0.0 112.275 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.66 156.71 39.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -66.88 -34.45 77.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.0 p -154.33 163.73 39.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.87 128.8 34.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.534 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 99.0 mttt -87.44 179.99 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.76 132.11 52.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.41 -5.53 84.28 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.447 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 90.0 mt-10 -91.28 148.83 22.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.347 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.6 t -66.7 134.03 30.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -134.34 -168.93 2.23 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.185 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.639 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 19.6 t 63.36 -100.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.558 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -57.94 -29.72 65.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.135 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.25 -79.98 1.47 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.6 mttt -124.02 -175.44 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.23 127.39 53.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.221 0.534 . . . . 0.0 109.684 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.31 133.35 50.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.851 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -26.45 13.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.178 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -139.66 76.44 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.421 . . . . 0.0 110.614 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.15 -38.04 63.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -101.71 -18.01 16.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -117.49 150.71 38.49 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.257 0.348 . . . . 0.0 110.262 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -129.09 160.71 31.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.449 ' O ' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.85 103.76 45.68 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 23' ' ' CYS . 51.5 Cg_exo -48.73 -174.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.28 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -131.15 41.7 3.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 28' ' ' ILE . 87.8 tt0 -112.22 74.9 0.89 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.2 t80 61.16 -67.6 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.221 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt -119.97 85.52 34.86 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 152.43 47.65 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.905 2.403 . . . . 0.0 112.125 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -132.51 138.94 47.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.493 0.496 . . . . 0.0 110.522 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.8 m -53.04 118.23 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -131.98 128.01 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -73.12 132.89 43.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.884 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -143.54 -166.88 2.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.646 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.09 104.74 48.58 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.664 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.65 160.24 31.5 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.878 1.719 . . . . 0.0 112.279 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -126.77 145.92 50.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.456 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.569 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.2 p -131.05 65.53 76.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.519 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.46 153.64 55.38 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.583 2.189 . . . . 0.0 112.326 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.9 t -80.16 128.38 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.0 m -109.67 127.68 54.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.465 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.435 ' H ' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.587 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 2' ' ' CYS . 57.3 p-10 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 30.1 p -151.86 163.83 38.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.456 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -92.03 118.78 31.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.419 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 63.4 mttp -79.36 -175.09 4.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.56 135.26 57.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 111.041 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.05 3.57 84.97 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.159 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 72.2 mm-40 -93.06 153.63 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.63 -179.274 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.3 135.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.467 ' C ' ' H ' ' A' ' 11' ' ' TRP . 31.2 p -139.87 166.78 23.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.128 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 m 74.55 -28.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.025 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.467 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -71.23 39.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.539 0.685 . . . . 0.0 109.888 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 97.23 -4.92 62.74 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -115.29 154.18 29.57 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.837 0.351 . . . . 0.0 110.409 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -110.06 139.82 44.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 0.0 110.301 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.74 129.12 37.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.507 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -31.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.958 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.26 96.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -84.16 -8.98 58.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.876 0.37 . . . . 0.0 110.579 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.2 p-10 -92.89 3.95 54.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.3 m120 -139.12 -22.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -119.07 154.3 33.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.538 0.524 . . . . 0.0 110.22 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.7 p90 -129.96 161.01 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.261 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.504 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 91.1 m -103.62 108.5 59.65 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.44 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.21 148.0 26.21 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.811 2.341 . . . . 0.0 112.744 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.426 ' HG2' ' H ' ' A' ' 25' ' ' MET . 14.8 ptp -79.86 65.76 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -133.49 178.54 6.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.4 t80 -59.29 -43.35 92.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.235 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' ' 27' ' ' PHE . 7.2 pt -127.13 79.22 73.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.638 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.5 141.54 90.2 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.742 2.295 . . . . 0.0 112.064 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -121.93 134.07 54.85 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.575 178.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 m -52.61 118.44 3.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.366 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 27.3 tptp -130.89 128.16 39.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.45 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -68.39 135.79 52.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.371 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -155.21 -170.73 3.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.679 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -102.79 112.77 65.97 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.651 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.17 152.43 39.98 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.882 1.722 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -153.81 160.68 42.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -106.17 147.1 34.25 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.696 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 -23.91 47.9 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.305 2.003 . . . . 0.0 112.303 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 42' ' ' THR . 11.9 p -145.85 140.43 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.658 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -70.02 -27.04 64.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.723 ' H ' HG22 ' A' ' 40' ' ' VAL . 66.6 m . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.63 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' A' ' 2' ' ' CYS . 58.9 p30 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 38.1 t -151.04 154.62 37.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.24 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -106.51 115.19 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.696 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 6.8 tptm -78.14 -161.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.935 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.2 132.41 51.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.516 . . . . 0.0 111.465 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.06 16.5 78.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.558 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 75.8 mm-40 -103.01 151.37 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.189 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 136.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.109 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.7 p -135.36 167.15 21.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.515 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.486 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 48.2 m 62.25 -23.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.366 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.631 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.56 39.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 109.87 179.453 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 93.08 7.53 62.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -128.17 148.81 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.358 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.8 135.82 49.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.361 0.6 . . . . 0.0 109.89 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.89 141.95 51.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.052 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.62 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 89.2 m -59.44 -41.88 90.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.625 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -123.38 80.2 1.76 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.609 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.08 -14.99 62.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.96 -37.63 61.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.6 -22.63 13.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.223 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -114.21 144.24 43.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 32.7 p90 -117.24 161.71 19.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.124 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 16.9 t -106.75 106.75 58.84 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.052 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.43 163.43 1.74 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.374 2.049 . . . . 0.0 113.287 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mtt -107.78 61.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 99.4 mt-10 -127.01 -171.4 2.4 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.212 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.591 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.9 t80 -60.75 -46.83 88.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.413 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.591 HG23 ' CD2' ' A' ' 27' ' ' PHE . 8.2 pt -130.81 75.91 77.98 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 49.6 Cg_exo -58.97 145.27 98.04 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.98 2.453 . . . . 0.0 112.483 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 28' ' ' ILE . 93.6 m-70 -129.87 138.01 50.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.456 0.472 . . . . 0.0 110.283 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.3 m -52.03 127.9 22.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.256 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 19.9 tptm -137.93 129.49 28.06 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.994 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -69.37 133.21 47.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.268 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -146.47 -170.98 3.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.343 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.598 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 6.5 mptt -95.1 114.42 63.67 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.444 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -75.61 155.74 40.21 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.94 1.76 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -149.05 147.32 28.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.036 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -99.89 -42.84 0.22 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.823 179.23 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 38' ' ' VAL . 97.3 Cg_endo -81.72 159.94 18.99 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 122.038 1.825 . . . . 0.0 112.461 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.02 -44.62 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.437 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 m 60.27 60.55 2.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.654 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.6 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 2' ' ' CYS . 66.3 t0 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 11.6 t -150.34 153.95 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.292 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -87.66 117.42 26.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.625 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -90.04 -179.26 5.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.156 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -53.47 127.55 25.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.52 . . . . 0.0 111.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.73 15.44 73.54 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -98.96 141.93 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.426 HG22 ' NE2' ' A' ' 30' ' ' HIS . 72.5 t -54.21 134.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' SER . 31.5 p -136.88 170.15 16.57 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.304 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER 81.11 -26.48 0.15 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.893 -179.752 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.83 38.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.532 0.682 . . . . 0.0 109.942 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 -1.02 71.1 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -115.33 148.96 38.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.482 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.75 134.97 49.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.301 0.572 . . . . 0.0 110.156 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.67 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 7.8 t -65.49 136.31 56.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.889 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.598 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 84.6 m -50.02 -11.62 0.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.557 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' N ' ' C ' ' A' ' 15' ' ' CYS . 45.7 m-20 -160.07 87.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.772 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' PHE . 67.6 mt -68.01 -21.24 65.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.09 -49.34 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -81.52 -25.0 36.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.937 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LEU . 46.4 m-85 -119.94 156.36 30.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.211 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 25.8 p90 -132.36 161.81 32.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.316 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.3 m -103.26 107.73 56.6 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 123.705 0.628 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 30' ' ' HIS . 53.7 Cg_exo -50.02 157.55 2.76 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 ptm -87.27 42.22 1.02 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.274 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -111.43 174.89 5.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.168 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.46 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.804 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 14.2 pt -139.99 69.43 35.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.13 136.75 71.0 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.501 2.134 . . . . 0.0 111.813 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 79.6 m80 -123.49 152.64 41.52 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.359 0.412 . . . . 0.0 110.115 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.4 m -66.3 113.15 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 35.9 mmtm -123.55 135.31 53.93 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.204 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.55 138.37 55.07 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.311 0.577 . . . . 0.0 112.097 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -159.73 174.65 14.19 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -112.13 99.01 44.8 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.515 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -76.47 152.13 33.77 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.89 1.726 . . . . 0.0 112.201 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -143.38 13.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.566 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.22 148.35 98.8 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.76 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.15 158.89 55.0 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.473 2.115 . . . . 0.0 112.192 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 p -128.6 136.71 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.518 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 t -82.81 -30.65 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.659 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.896 -1.049 . . . . 0.0 110.546 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.9 p -158.58 164.82 35.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.031 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.8 125.11 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.398 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 64.6 mttp -81.17 -173.21 4.19 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.4 137.75 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.51 6.7 86.88 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 61.9 mt-10 -101.13 150.69 22.67 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.517 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.86 136.89 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 10' ' ' SER . 31.8 p -142.77 164.84 29.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.443 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.96 -34.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.695 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -67.54 28.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.133 0.492 . . . . 0.0 110.435 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.623 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 106.87 6.91 34.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -125.49 150.17 47.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.443 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -104.53 131.76 51.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 110.247 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.84 151.11 47.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.9 m -60.16 -24.45 64.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.72 84.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.83 -20.6 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.15 -37.39 64.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -98.2 -26.33 14.59 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.13 156.55 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.448 0.468 . . . . 0.0 110.5 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.5 p90 -134.58 162.65 31.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.23 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.5 106.73 55.52 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.548 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -52.48 150.46 20.9 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.843 2.362 . . . . 0.0 112.767 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.429 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 62.3 ttp -90.2 70.8 7.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 56.4 mp0 -138.61 -177.45 4.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.496 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.636 ' CD2' HG23 ' A' ' 28' ' ' ILE . 85.3 t80 -58.92 -46.56 87.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.636 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.4 pt -127.58 79.81 72.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.51 151.77 59.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 123.064 2.51 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 98.1 m-70 -136.18 139.97 43.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.586 178.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.97 118.65 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 22.3 tptp -132.43 128.53 37.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -67.25 134.7 52.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.404 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -145.6 -173.11 4.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.578 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HD3' ' H ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -97.93 110.13 54.35 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.863 -179.562 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.36 -0.17 10.1 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.279 1.986 . . . . 0.0 112.419 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 64.33 166.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.2 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 38' ' ' VAL . 33.3 m -129.29 68.25 79.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.341 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.88 152.65 58.11 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.617 2.211 . . . . 0.0 112.303 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.51 -17.48 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.433 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.0 p -75.75 162.55 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.445 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.455 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p -154.53 165.82 35.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.644 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.567 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -84.07 131.07 34.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.59 170.71 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.17 127.16 18.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.97 3.17 89.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -92.23 150.64 20.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -58.39 134.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.531 ' C ' ' H ' ' A' ' 11' ' ' TRP . 29.8 p -138.98 167.51 21.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.6 m 71.87 -29.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.749 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -69.73 40.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 0.0 110.337 179.399 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 96.32 5.28 59.31 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -131.5 149.6 52.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.774 0.321 . . . . 0.0 110.606 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -103.97 142.75 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.465 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 4.8 t -72.05 127.22 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.077 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -36.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.758 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -132.19 100.03 4.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.3 -5.65 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.2 p-10 -92.45 0.13 57.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -137.06 -22.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -118.31 157.44 27.07 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.485 0.491 . . . . 0.0 110.398 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.6 p90 -134.26 161.43 34.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.186 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 94.6 m -104.33 109.16 62.21 Favored Pre-proline 0 N--CA 1.449 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.47 146.2 26.34 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.77 2.313 . . . . 0.0 112.141 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 78.8 mtm -78.47 67.15 4.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.669 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -137.16 173.88 11.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.395 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -70.83 -10.84 60.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 13.0 pt -143.51 68.89 17.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.274 0.559 . . . . 0.0 110.643 179.004 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.36 139.91 85.24 Favored 'Trans proline' 0 C--N 1.302 -1.91 0 C-N-CA 122.707 2.271 . . . . 0.0 112.156 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.0 m80 -125.48 133.5 52.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.429 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.8 m -52.15 115.99 1.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.51 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 55.3 tptt -126.58 126.0 42.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.579 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -66.85 135.11 53.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -152.14 -179.67 7.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -112.96 105.99 55.41 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -74.99 153.85 42.11 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.798 2.332 . . . . 0.0 112.167 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 35' ' ' LYS . 90.0 m-85 -132.97 170.37 15.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.443 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.593 HG13 ' O ' ' A' ' 38' ' ' VAL . 7.6 p -133.22 73.83 73.69 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.14 148.29 90.09 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.942 2.428 . . . . 0.0 111.966 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.1 t -109.74 122.62 64.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.541 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 t -157.61 161.17 38.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.525 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 42' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.599 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p -159.35 167.11 29.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.021 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -75.53 106.3 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 59.2 mtpt -70.8 -179.31 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.307 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.86 128.22 35.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.051 0.453 . . . . 0.0 110.734 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.08 -6.66 83.44 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 11.2 mm-40 -84.5 151.11 24.81 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.921 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.35 133.58 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.981 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' C ' ' H ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -135.42 171.97 13.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 75.11 -33.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.452 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -70.24 21.31 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.295 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 118.51 -0.04 15.93 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -128.49 148.66 50.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.462 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -106.63 134.82 49.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.214 0.531 . . . . 0.0 110.22 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 4.9 t -64.01 155.66 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.973 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.34 -40.27 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -132.69 84.17 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.618 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.62 -15.65 63.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.61 -32.36 53.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -108.17 -12.04 15.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.817 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -125.16 158.23 34.46 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.368 0.417 . . . . 0.0 110.719 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -139.69 164.62 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.004 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.25 109.42 58.62 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD2' ' H ' ' A' ' 30' ' ' HIS . 68.3 Cg_exo -52.56 147.55 30.01 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.879 2.386 . . . . 0.0 112.589 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -85.17 67.91 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.643 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -134.81 -179.08 5.39 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.318 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CD2' HG23 ' A' ' 28' ' ' ILE . 83.9 t80 -59.55 -44.78 93.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.1 pt -126.08 79.41 69.45 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.98 149.43 79.47 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.93 2.42 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 61.2 m80 -137.71 137.09 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.378 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -43.31 119.28 1.54 Allowed 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -135.93 136.5 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -69.85 135.23 49.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -49.43 -93.7 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.965 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.674 ' O ' HG13 ' A' ' 38' ' ' VAL . 40.8 mtpt -125.75 80.27 67.0 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.998 -179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' C ' ' CG ' ' A' ' 37' ' ' TYR . 68.8 Cg_endo -77.42 141.01 19.76 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.303 2.002 . . . . 0.0 112.565 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD2' ' N ' ' A' ' 37' ' ' TYR . 0.2 OUTLIER 62.94 49.23 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.485 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 35' ' ' LYS . 14.7 m -68.5 151.66 97.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.008 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.46 140.21 28.09 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.995 1.797 . . . . 0.0 112.232 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.3 t 47.78 86.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.661 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 t -58.24 145.59 36.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.688 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.557 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 1' ' ' ASP . 55.8 p-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p -156.31 165.47 36.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -98.25 132.94 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.675 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.495 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 68.1 mttm -94.55 -167.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.565 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.0 127.03 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.07 0.462 . . . . 0.0 110.965 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.87 -6.7 82.51 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.413 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.495 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 78.2 mm-40 -86.75 146.7 26.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.771 0.319 . . . . 0.0 110.629 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.11 141.3 17.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.42 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.611 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.3 p -136.27 165.5 25.62 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.261 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.448 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 58.8 m 63.35 -28.9 0.09 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.626 0.579 . . . . 0.0 111.1 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.611 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.93 46.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.751 0.786 . . . . 0.0 109.693 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.08 -0.23 72.11 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.04 145.81 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.56 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -109.34 138.54 45.53 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.64 146.54 54.37 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.869 -1.059 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.64 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.905 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.58 68.18 2.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.14 -16.89 55.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -74.74 -39.07 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -106.16 -7.39 17.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.827 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' CE2' ' CG ' ' A' ' 33' ' ' LYS . 22.4 m-85 -127.98 154.18 45.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -131.54 168.54 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 12.2 t -103.42 107.28 55.4 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -58.16 -172.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.05 1.834 . . . . 0.0 112.991 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 64.7 ttp -140.82 94.52 2.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.55 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 28' ' ' ILE . 76.9 tt0 -163.42 57.05 0.18 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.467 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 67.92 -44.72 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.55 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 9.3 pt -134.56 73.3 68.26 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.54 144.4 99.43 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.8 2.333 . . . . 0.0 112.488 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 72.8 m80 -131.13 134.72 46.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.31 126.07 2.68 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -138.68 142.45 38.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 34' ' ' TYR . 37.6 mtpt -72.97 140.75 47.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.732 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.465 ' O ' ' O ' ' A' ' 33' ' ' LYS . 93.7 m-85 -54.98 -117.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.948 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 58.82 13.78 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.796 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.71 146.42 48.59 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.669 2.246 . . . . 0.0 111.965 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -112.88 -1.58 14.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.729 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 38' ' ' VAL . 32.9 m -130.73 64.26 72.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.578 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.34 151.53 48.52 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.601 2.2 . . . . 0.0 112.181 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.864 HG22 ' H ' ' A' ' 42' ' ' THR . 8.2 p -142.0 139.86 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.692 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.2 p -95.7 -5.67 41.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.864 ' H ' HG22 ' A' ' 40' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.494 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p -157.59 163.57 38.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.98 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 7' ' ' GLU . . . -75.35 125.42 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.42 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.43 177.85 7.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.8 132.0 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.1 1.09 90.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 3' ' ' ALA . 3.2 tm-20 -94.4 146.43 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.994 0.426 . . . . 0.0 110.046 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 53.3 t -54.91 139.64 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.621 ' C ' ' H ' ' A' ' 11' ' ' TRP . 23.8 p -137.21 168.22 20.04 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 12' ' ' GLY . 74.0 m 63.03 -25.89 0.06 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.47 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.621 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.25 40.8 0.22 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 110.111 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 10.07 60.63 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -134.82 134.1 40.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.523 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -92.58 136.47 33.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.244 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.02 150.43 45.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.465 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -60.45 -40.59 91.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -131.15 82.39 2.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.754 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.27 -21.7 66.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -75.06 -35.48 61.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -103.44 -7.52 20.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.93 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -131.49 154.97 48.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 110.88 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -133.23 179.44 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.794 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.5 m -109.19 99.67 37.16 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.6 142.98 70.55 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 123.144 2.562 . . . . 0.0 112.033 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 mmt -90.66 80.21 5.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' A' ' 28' ' ' ILE . 98.8 mt-10 -141.51 40.9 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 70.29 -37.16 0.37 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.523 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 7.1 pt -131.22 77.04 75.22 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.224 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.03 139.37 87.37 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.623 2.215 . . . . 0.0 112.546 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 75.7 m80 -128.32 130.89 48.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' HIS . 32.5 m -38.47 98.6 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.149 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' HIS . 49.1 tptt -111.97 131.09 55.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.765 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -76.1 143.71 41.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.627 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 35' ' ' LYS . 94.4 m-85 -63.01 140.13 58.84 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.984 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -7.37 77.76 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.471 0 O-C-N 124.409 1.068 . . . . 0.0 111.608 -179.357 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 34' ' ' TYR . 60.2 Cg_endo -73.83 146.35 37.75 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 122.037 1.825 . . . . 0.0 112.1 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -114.73 3.71 14.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.596 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.6 t 42.44 57.4 10.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.454 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.14 149.75 64.92 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.62 2.213 . . . . 0.0 112.279 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.9 p -63.8 -30.49 50.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.2 p -77.54 163.34 26.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.667 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.567 -179.908 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.452 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.2 p-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER 52.51 174.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.706 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.54 128.55 56.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -90.12 167.74 12.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.438 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -46.88 129.51 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.712 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 3.56 90.52 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -97.73 145.42 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -55.58 132.61 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.688 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -130.64 -156.93 0.79 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.78 0.324 . . . . 0.0 110.357 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t 63.98 -123.6 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -55.52 -33.04 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.467 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.4 -42.93 99.68 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 tttt 179.27 -156.76 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -114.08 134.13 55.08 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.071 0.462 . . . . 0.0 109.969 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.38 132.1 45.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.371 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -41.19 -36.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 16' ' ' CYS . 95.1 m-20 -138.59 88.3 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' PHE . 37.7 mt -69.01 -22.93 64.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.36 -36.28 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -97.52 -14.1 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 18' ' ' LEU . 56.0 m-85 -131.13 159.19 38.38 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.71 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.23 167.21 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.867 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.4 m -102.22 107.98 55.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.453 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.14 145.29 20.46 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.64 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.25 70.77 1.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.515 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.89 170.45 15.7 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -68.77 -15.44 63.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.419 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.537 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 15.4 pt -140.23 70.33 33.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.93 141.49 94.72 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.772 2.314 . . . . 0.0 112.151 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.9 m80 -124.35 134.99 52.99 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.432 0.458 . . . . 0.0 109.969 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.3 m -44.26 118.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -136.5 132.34 35.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -65.29 142.13 58.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.631 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -59.96 -43.23 95.17 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 22.8 mtpp -132.45 77.58 69.72 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.22 140.62 93.4 Favored 'Trans proline' 0 C--N 1.303 -1.857 0 C-N-CA 122.401 2.067 . . . . 0.0 111.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -156.08 170.3 22.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.634 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.5 p -137.72 70.03 51.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.6 -38.39 95.61 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.798 2.332 . . . . 0.0 112.272 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.849 HG22 ' H ' ' A' ' 42' ' ' THR . 9.9 p -149.89 144.1 17.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.651 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.9 p -69.38 -25.96 64.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.565 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.849 ' H ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.576 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.1 p -154.72 168.55 26.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.39 131.48 36.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 26.8 mtpp -96.95 169.63 9.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -46.83 128.11 10.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.87 90.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 41.2 tp10 -96.69 144.41 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.385 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.61 133.39 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.708 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 p -129.01 -154.52 0.64 Allowed 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.235 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m 64.25 -126.62 0.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 49.1 p-90 -57.26 -33.06 67.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.325 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -62.33 -40.97 99.72 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 175.94 -171.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.67 0.271 . . . . 0.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.022 0.439 . . . . 0.0 110.136 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.1 t -69.06 129.11 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.991 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.29 -37.19 0.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -134.01 88.03 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.781 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.83 -21.27 62.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -76.15 -34.86 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -98.56 -12.87 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.811 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -132.9 156.36 47.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -132.61 170.19 15.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.431 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.5 m -103.56 108.07 58.17 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.13 146.1 40.01 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.696 2.264 . . . . 0.0 112.249 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 97.7 mtp -77.28 72.23 3.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.679 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -139.22 177.16 8.11 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.294 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 28' ' ' ILE . 87.4 t80 -58.54 -45.34 89.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.212 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 27' ' ' PHE . 5.5 pt -126.43 79.89 70.11 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.273 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.22 141.26 88.29 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.946 2.43 . . . . 0.0 112.135 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.7 m80 -123.6 134.89 53.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.633 0.583 . . . . 0.0 110.607 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.8 m -43.7 115.97 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.107 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -130.23 131.83 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' TYR . 32.4 ttmt -67.4 138.17 56.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.416 ' O ' ' O ' ' A' ' 33' ' ' LYS . 94.3 m-85 -55.51 -166.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.459 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -136.72 60.57 31.28 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.652 -179.011 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -71.6 146.66 49.74 Favored 'Trans proline' 0 C--N 1.302 -1.873 0 C-N-CA 122.618 2.212 . . . . 0.0 112.047 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -114.53 3.49 14.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 38' ' ' VAL . 33.7 m -131.02 62.16 63.92 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.444 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.69 -19.25 31.93 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.736 2.291 . . . . 0.0 112.464 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.85 -30.68 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.691 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 38' ' ' VAL . 5.1 t -62.75 -28.07 69.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.578 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.2 p . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.884 0.373 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -94.05 112.24 24.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.698 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.457 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 63.4 mttp -73.97 -177.89 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.74 128.5 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.66 -3.97 86.01 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 77.3 mm-40 -85.02 152.96 23.06 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.514 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.88 127.34 31.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.024 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 p -113.03 -170.73 1.73 Allowed 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t 65.68 -114.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -54.22 -29.7 47.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.1 -86.39 0.41 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.94 -171.04 2.92 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.852 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -107.83 124.72 50.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.425 0.631 . . . . 0.0 109.712 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.88 129.74 31.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.88 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.01 -53.93 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.825 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -115.23 87.75 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.558 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -68.46 -17.19 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -74.58 -42.21 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.12 -13.67 24.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -128.95 154.21 46.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -129.22 159.5 35.88 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.2 t -102.9 109.28 60.97 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.947 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -54.78 166.53 1.96 Allowed 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.713 2.275 . . . . 0.0 112.735 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 65.5 ttp -111.39 88.65 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.913 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 4.3 tt0 -156.01 -168.62 2.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.567 ' CD2' HG23 ' A' ' 28' ' ' ILE . 68.0 t80 -61.91 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.72 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.567 HG23 ' CD2' ' A' ' 27' ' ' PHE . 9.1 pt -134.5 75.78 62.98 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 44.9 Cg_exo -58.85 146.22 93.93 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.819 2.346 . . . . 0.0 112.225 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.548 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 69.0 m80 -128.39 136.92 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.576 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.85 126.14 11.59 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -133.28 133.81 43.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.258 179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 p . . . . . 0 CA--C 1.52 -0.188 0 CA-C-O 120.936 0.398 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -92.87 128.49 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.495 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -86.04 -162.06 0.7 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.266 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -57.74 129.07 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 110.672 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.14 31.74 81.75 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.073 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.543 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 80.7 mm-40 -112.08 28.3 8.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.135 -0.226 . . . . 0.0 111.445 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 53.8 t 59.15 138.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -143.53 -157.36 0.77 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 t 61.98 -130.47 0.65 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -57.31 -33.18 67.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.322 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.7 99.16 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mttm 177.06 -178.45 0.17 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -102.46 126.98 49.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.115 0.483 . . . . 0.0 109.962 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -66.16 151.02 47.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.968 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.7 m -59.57 -40.99 89.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.92 88.56 2.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.066 0.46 . . . . 0.0 110.457 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 21' ' ' PHE . 50.4 mt -65.22 -20.11 66.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.892 0.377 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -76.6 -47.78 21.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.459 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -86.3 -7.21 58.67 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.838 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LEU . 32.8 m-85 -132.72 158.68 41.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.597 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 34.8 p90 -133.17 161.06 35.44 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.4 m -102.79 108.83 59.58 Favored Pre-proline 0 CA--C 1.541 0.61 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.774 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.6 146.66 42.47 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.961 2.44 . . . . 0.0 112.007 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.508 ' O ' ' SD ' ' A' ' 25' ' ' MET . 14.1 tmm? -80.94 77.76 7.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.322 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -145.25 178.1 8.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.693 ' CD2' HG23 ' A' ' 28' ' ' ILE . 88.3 t80 -58.73 -46.38 87.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.265 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.693 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.3 pt -124.48 81.17 59.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.19 148.34 78.96 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -125.77 149.67 48.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.548 0.53 . . . . 0.0 110.685 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -68.94 112.63 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 61.7 mmtt -119.87 161.09 21.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.331 -0.203 0 O-C-N 123.505 0.503 . . . . 0.0 111.91 -179.427 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.817 0.341 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -93.59 116.29 28.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.464 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 6.7 tptp -76.04 -168.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.93 128.07 34.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.974 0.416 . . . . 0.0 111.326 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.99 3.19 89.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.464 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 78.0 mm-40 -88.1 152.62 21.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.22 134.06 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.85 -156.11 0.7 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.606 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t 63.43 -129.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -56.19 -32.34 64.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.409 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.34 -42.25 99.23 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -178.13 -155.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -121.32 131.87 54.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 5.5 t -71.48 129.94 40.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.681 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.47 -34.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.739 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -138.31 102.01 4.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.499 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.4 mt -84.17 -11.26 56.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.525 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 58.0 p30 -86.9 -20.16 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.525 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 71.2 m-80 -111.11 -16.59 13.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -130.54 151.37 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 33.2 p90 -124.38 162.82 23.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.22 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.95 108.14 57.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.02 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.25 151.22 29.77 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 123.0 2.467 . . . . 0.0 112.192 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 61.4 tpp -81.59 90.61 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.098 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -159.71 -178.41 7.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.406 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.637 ' CD2' HG23 ' A' ' 28' ' ' ILE . 84.8 t80 -60.51 -46.69 89.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.694 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.637 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.5 pt -126.64 79.98 70.78 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.27 145.17 78.89 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.806 2.337 . . . . 0.0 112.073 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.2 m80 -123.45 148.89 45.74 Favored 'General case' 0 C--O 1.222 -0.367 0 O-C-N 123.358 0.411 . . . . 0.0 110.183 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.25 120.26 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.752 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 39.0 mmtm -127.07 129.56 48.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 121.262 0.553 . . . . 0.0 111.736 -179.619 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.662 ' SG ' ' N ' ' A' ' 3' ' ' ALA . 1.2 t . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.973 0.416 . . . . 0.0 110.791 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.662 ' N ' ' SG ' ' A' ' 2' ' ' CYS . . . -96.97 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.48 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.434 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 68.0 mttm -83.27 -172.89 4.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.193 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.13 130.76 35.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.957 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.51 20.75 79.61 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.757 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 76.3 mm-40 -109.06 150.81 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.5 129.36 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.0 p -132.46 -156.98 0.79 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 t 64.18 -125.39 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.702 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.0 -32.64 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.91 -44.07 98.33 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.308 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -178.98 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -128.32 139.41 52.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.084 0.468 . . . . 0.0 109.94 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.76 147.37 33.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.71 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.651 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 92.8 m -59.2 -41.17 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.884 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -128.42 96.6 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.073 0.463 . . . . 0.0 110.454 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 mt -83.04 -6.38 59.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.567 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.22 -30.11 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -102.42 -15.55 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.049 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -129.0 162.28 27.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -133.44 161.75 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.11 108.16 55.65 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.36 151.84 16.92 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.439 2.092 . . . . 0.0 112.574 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.5 ptm -86.73 39.41 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.921 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.78 -178.64 3.73 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.0 110.418 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.88 -45.87 91.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.284 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.519 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 1.7 pt -124.06 82.44 56.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.157 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.57 140.6 93.85 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.803 2.335 . . . . 0.0 112.084 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.0 m80 -127.08 133.76 50.38 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.379 0.425 . . . . 0.0 110.273 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.8 m -48.55 122.38 5.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -132.82 128.54 36.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.524 0.678 . . . . 0.0 111.777 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.721 0.296 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -96.72 133.56 41.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.416 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 68.6 mttm -99.16 -168.99 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.18 128.18 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.8 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.62 -6.25 82.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 93.6 mt-10 -91.15 150.85 21.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.874 0.369 . . . . 0.0 110.442 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.03 139.93 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.906 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 p -128.68 164.07 23.73 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.43 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 12' ' ' GLY . 8.2 t 59.44 -148.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 49.44 17.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.677 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 10' ' ' SER . . . 117.67 2.04 17.25 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -126.68 150.49 48.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.86 129.9 56.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.203 0.525 . . . . 0.0 110.225 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.628 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 6.5 t -74.92 141.47 44.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.988 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -35.3 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.095 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.2 85.81 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 21' ' ' PHE . 36.5 mt -71.38 -19.62 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.896 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -76.84 -49.45 15.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.511 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -80.54 -14.61 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.907 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LEU . 31.8 m-85 -126.28 156.52 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.476 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 28.3 p90 -127.84 162.36 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.167 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.2 m -102.6 108.99 59.83 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.75 151.23 33.05 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.949 2.433 . . . . 0.0 112.279 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 mmt -85.14 68.94 10.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -136.53 177.09 8.12 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.18 -39.17 85.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.54 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.473 HD12 ' H ' ' A' ' 28' ' ' ILE . 1.1 pp -128.34 76.62 78.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.602 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.39 141.1 96.79 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.827 2.352 . . . . 0.0 112.201 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -120.06 147.84 44.32 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 123.351 0.407 . . . . 0.0 110.347 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 106.88 3.21 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.73 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 27.8 mmtp -111.38 127.91 55.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.8 tttt . . . . . 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 110.911 -179.099 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.727 0.298 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -78.59 147.99 33.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 59.9 mtpt -115.81 171.52 7.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -49.23 126.31 12.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.45 4.35 89.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 4' ' ' LYS . 75.1 tt0 -94.22 147.99 22.64 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.311 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.4 t -57.66 138.9 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.684 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 11' ' ' TRP . 19.2 p -133.71 156.38 48.05 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.68 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.7 t 72.0 -40.96 0.49 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.442 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 10.4 t90 -55.4 -5.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 146.75 1.73 0.6 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.99 148.34 52.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.378 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -107.75 134.03 51.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.933 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -58.57 125.64 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.82 -179.382 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.83 66.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.03 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.541 ' OD2' ' CE1' ' A' ' 21' ' ' PHE . 97.6 m-20 -76.56 -41.29 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt 41.38 20.17 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' ASP . 65.2 t0 -135.68 -67.54 0.53 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.901 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -80.88 -7.14 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE1' ' OD2' ' A' ' 17' ' ' ASP . 31.9 m-85 -122.42 148.88 44.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.059 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.0 p90 -123.75 159.75 28.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 t -104.79 108.89 62.17 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.764 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -54.58 167.94 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.305 2.003 . . . . 0.0 113.188 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.9 ttt -112.19 88.51 2.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.083 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 6.3 tt0 -156.82 -167.92 2.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CD2' HG23 ' A' ' 28' ' ' ILE . 72.9 t80 -61.71 -47.18 86.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.605 HG23 ' CD2' ' A' ' 27' ' ' PHE . 10.7 pt -134.12 75.1 66.54 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.181 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 52.7 Cg_exo -58.63 149.85 73.59 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.943 2.429 . . . . 0.0 112.295 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 73.4 m80 -130.74 140.98 50.36 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.778 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.9 m -56.86 125.36 22.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.09 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 28.4 tptp -136.55 135.61 38.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.175 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm . . . . . 0 C--O 1.234 0.241 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.181 179.393 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.7 p . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.848 0.356 . . . . 0.0 111.202 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -72.73 136.63 45.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -95.25 171.36 8.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -50.32 128.76 20.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.237 0.541 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.01 2.16 90.31 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -91.76 150.74 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.346 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.3 t -57.99 135.05 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -142.62 160.09 40.98 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.41 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER 71.44 -42.14 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.458 ' H ' ' C ' ' A' ' 9' ' ' CYS . 82.8 t90 -55.42 -5.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.162 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 147.18 2.84 0.49 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.59 150.67 51.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 110.792 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -97.74 139.33 33.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.287 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 6.5 t -73.7 147.77 43.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.318 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.69 -41.0 89.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.671 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -124.62 91.57 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.42 -5.55 56.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -96.98 -7.28 33.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -130.23 -8.54 4.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.653 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 17.9 m-85 -129.4 161.23 30.82 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 40.3 p90 -136.17 161.07 36.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.234 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 97.8 m -103.14 108.83 60.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.76 159.37 1.57 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.833 2.355 . . . . 0.0 112.461 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -80.77 -4.39 54.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.922 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.46 155.61 28.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.096 0.474 . . . . 0.0 109.914 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.581 ' CD1' HG23 ' A' ' 28' ' ' ILE . 30.8 p90 -58.7 -12.2 3.97 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.748 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 27' ' ' PHE . 11.3 pt -135.97 73.09 60.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.141 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.27 138.93 80.33 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.55 2.167 . . . . 0.0 111.865 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.9 m80 -126.77 136.38 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.339 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.9 m -49.96 106.41 0.12 Allowed 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.181 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -118.18 127.21 53.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.751 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttt . . . . . 0 C--O 1.233 0.227 0 CA-C-O 121.362 0.601 . . . . 0.0 110.542 179.652 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.8 p . . . . . 0 N--CA 1.461 0.079 0 CA-C-O 120.824 0.345 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -94.0 123.27 37.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.572 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.508 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 7.6 tptp -80.1 -168.08 1.52 Allowed 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.93 128.23 35.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.796 0.331 . . . . 0.0 111.277 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.39 86.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 77.4 mm-40 -87.02 153.13 21.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.133 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -61.34 127.67 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 31.1 p -138.32 114.45 10.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 110.342 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LYS . 41.2 t -175.26 -138.83 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 43.6 p-90 -60.44 -40.16 90.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -65.39 -46.85 84.29 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.779 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.3 mttt -146.27 165.09 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.603 0.24 . . . . 0.0 110.842 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -116.36 142.32 47.01 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.328 0.585 . . . . 0.0 109.944 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -64.25 134.68 55.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.844 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.78 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.762 0.315 . . . . 0.0 110.828 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -101.82 96.59 7.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -81.3 -10.94 59.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.535 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 56.9 p-10 -87.22 -1.47 57.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.535 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 72.3 m-80 -129.96 -32.05 1.88 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.91 146.91 43.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 35.6 p90 -118.06 162.39 18.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.195 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 94.2 m -104.36 107.6 58.08 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.573 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.7 151.36 10.88 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 122.907 2.405 . . . . 0.0 112.598 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.19 75.33 9.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.744 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -142.93 178.78 7.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.603 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.5 t80 -58.98 -45.72 89.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.603 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.6 pt -127.57 79.69 73.03 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.55 147.2 71.09 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.846 2.364 . . . . 0.0 112.044 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 70.6 m80 -124.11 129.63 51.18 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.56 0.538 . . . . 0.0 110.399 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.6 m -49.78 124.58 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.481 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 tppp? -138.11 128.4 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.717 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HG2' ' H ' ' A' ' 33' ' ' LYS . 9.0 ptpt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.121 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 p . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.709 0.29 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -91.04 116.31 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.472 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 18.3 tptt -75.24 -169.68 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.096 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.1 128.23 34.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 0.0 111.331 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.95 87.47 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 79.6 mm-40 -84.79 153.25 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.58 134.71 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.593 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -139.17 164.95 28.46 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.078 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.3 -31.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.453 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -69.46 27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.528 . . . . 0.0 110.373 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.6 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 105.2 2.21 41.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -121.28 144.76 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.331 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -101.8 134.1 45.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.228 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 5.7 t -71.36 128.89 37.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.489 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.07 -37.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.111 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -134.5 86.38 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.01 -21.1 63.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 -36.35 62.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.729 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -94.92 -22.55 17.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -120.21 156.65 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.777 0.673 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 26.5 p90 -131.81 162.08 31.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.337 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 82.7 m -102.53 107.63 54.6 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.636 0.585 . . . . 0.0 111.351 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.07 152.92 22.57 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.879 2.386 . . . . 0.0 112.49 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mtm -86.88 82.8 7.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.277 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -152.56 -179.49 7.63 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.345 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.657 ' CD2' HG23 ' A' ' 28' ' ' ILE . 85.4 t80 -59.44 -46.38 88.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.447 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.657 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.9 pt -125.43 80.29 65.76 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -58.72 147.75 86.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.769 2.313 . . . . 0.0 112.224 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 73.5 m80 -128.43 149.28 50.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.373 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.7 m -65.77 117.24 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 67.6 mmtt -124.36 126.5 46.09 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.759 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 111.874 -179.976 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.0 p . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.702 0.287 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.87 128.8 34.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.534 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.466 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 99.0 mttt -87.44 179.99 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.76 132.11 52.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.41 -5.53 84.28 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.447 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 90.0 mt-10 -91.28 148.83 22.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.347 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.6 t -66.7 134.03 30.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -134.34 -168.93 2.23 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.185 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.639 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 19.6 t 63.36 -100.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.558 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -57.94 -29.72 65.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.135 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.25 -79.98 1.47 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.6 mttt -124.02 -175.44 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.23 127.39 53.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.221 0.534 . . . . 0.0 109.684 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.31 133.35 50.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.851 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -26.45 13.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.178 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -139.66 76.44 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.421 . . . . 0.0 110.614 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.15 -38.04 63.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -101.71 -18.01 16.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -117.49 150.71 38.49 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.257 0.348 . . . . 0.0 110.262 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -129.09 160.71 31.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.449 ' O ' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.85 103.76 45.68 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 23' ' ' CYS . 51.5 Cg_exo -48.73 -174.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.28 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -131.15 41.7 3.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 28' ' ' ILE . 87.8 tt0 -112.22 74.9 0.89 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.2 t80 61.16 -67.6 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.221 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt -119.97 85.52 34.86 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 152.43 47.65 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.905 2.403 . . . . 0.0 112.125 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -132.51 138.94 47.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.493 0.496 . . . . 0.0 110.522 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.8 m -53.04 118.23 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -131.98 128.01 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.7 tttm . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.884 -179.443 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.46 0.055 0 CA-C-O 120.671 0.272 . . . . 0.0 110.456 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -92.03 118.78 31.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.419 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 63.4 mttp -79.36 -175.09 4.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.56 135.26 57.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 111.041 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.05 3.57 84.97 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.159 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.412 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 72.2 mm-40 -93.06 153.63 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.63 -179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.3 135.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.467 ' C ' ' H ' ' A' ' 11' ' ' TRP . 31.2 p -139.87 166.78 23.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.128 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 m 74.55 -28.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.025 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.467 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -71.23 39.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.539 0.685 . . . . 0.0 109.888 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 97.23 -4.92 62.74 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -115.29 154.18 29.57 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.837 0.351 . . . . 0.0 110.409 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -110.06 139.82 44.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 0.0 110.301 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.74 129.12 37.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.507 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -31.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.958 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.26 96.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -84.16 -8.98 58.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.876 0.37 . . . . 0.0 110.579 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 56.2 p-10 -92.89 3.95 54.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.519 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 72.7 m-80 -139.12 -22.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -119.07 154.3 33.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.538 0.524 . . . . 0.0 110.22 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.7 p90 -129.96 161.01 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.261 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.504 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 91.1 m -103.62 108.5 59.65 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.44 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.21 148.0 26.21 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.811 2.341 . . . . 0.0 112.744 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.426 ' HG2' ' H ' ' A' ' 25' ' ' MET . 14.8 ptp -79.86 65.76 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -133.49 178.54 6.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.4 t80 -59.29 -43.35 92.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.235 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' ' 27' ' ' PHE . 7.2 pt -127.13 79.22 73.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.638 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.5 141.54 90.2 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.742 2.295 . . . . 0.0 112.064 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 67.1 m80 -121.93 134.07 54.85 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.575 178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 m -52.61 118.44 3.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.366 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 27.3 tptp -130.89 128.16 39.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.45 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt . . . . . 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.371 -179.689 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 38.1 t . . . . . 0 CA--C 1.518 -0.286 0 CA-C-O 120.811 0.339 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -106.51 115.19 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.696 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.414 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 6.8 tptm -78.14 -161.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.935 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.2 132.41 51.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.516 . . . . 0.0 111.465 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.06 16.5 78.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.558 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 75.8 mm-40 -103.01 151.37 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.189 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 136.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.109 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.631 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.7 p -135.36 167.15 21.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.515 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.486 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 48.2 m 62.25 -23.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.366 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.631 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.56 39.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 109.87 179.453 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 93.08 7.53 62.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -128.17 148.81 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.358 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.8 135.82 49.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.361 0.6 . . . . 0.0 109.89 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.89 141.95 51.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.052 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.62 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 89.2 m -59.44 -41.88 90.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.625 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -123.38 80.2 1.76 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.609 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.08 -14.99 62.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.96 -37.63 61.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.6 -22.63 13.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.223 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -114.21 144.24 43.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 32.7 p90 -117.24 161.71 19.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.124 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.486 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 16.9 t -106.75 106.75 58.84 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.052 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.43 163.43 1.74 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.374 2.049 . . . . 0.0 113.287 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mtt -107.78 61.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 99.4 mt-10 -127.01 -171.4 2.4 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.212 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.591 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.9 t80 -60.75 -46.83 88.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.413 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.591 HG23 ' CD2' ' A' ' 27' ' ' PHE . 8.2 pt -130.81 75.91 77.98 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 49.6 Cg_exo -58.97 145.27 98.04 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.98 2.453 . . . . 0.0 112.483 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.5 m80 -129.87 138.01 50.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.456 0.472 . . . . 0.0 110.283 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.3 m -52.03 127.9 22.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.256 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 19.9 tptm -137.93 129.49 28.06 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.994 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.268 179.656 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 11.6 t . . . . . 0 CA--C 1.518 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 111.292 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -87.66 117.42 26.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.625 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -90.04 -179.26 5.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.156 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -53.47 127.55 25.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.52 . . . . 0.0 111.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.73 15.44 73.54 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -98.96 141.93 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.426 HG22 ' NE2' ' A' ' 30' ' ' HIS . 72.5 t -54.21 134.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' SER . 31.5 p -136.88 170.15 16.57 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.304 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER 81.11 -26.48 0.15 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.893 -179.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.83 38.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.532 0.682 . . . . 0.0 109.942 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 -1.02 71.1 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -115.33 148.96 38.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.482 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.75 134.97 49.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.301 0.572 . . . . 0.0 110.156 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.67 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 7.8 t -65.49 136.31 56.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.889 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.598 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 84.6 m -50.02 -11.62 0.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.557 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' N ' ' C ' ' A' ' 15' ' ' CYS . 45.7 m-20 -160.07 87.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.772 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' PHE . 67.6 mt -68.01 -21.24 65.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.09 -49.34 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -81.52 -25.0 36.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.937 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LEU . 46.4 m-85 -119.94 156.36 30.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.211 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 25.8 p90 -132.36 161.81 32.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.316 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.3 m -103.26 107.73 56.6 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 123.705 0.628 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 30' ' ' HIS . 53.7 Cg_exo -50.02 157.55 2.76 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 ptm -87.27 42.22 1.02 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.274 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -111.43 174.89 5.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.168 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.46 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.804 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 14.2 pt -139.99 69.43 35.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.13 136.75 71.0 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.501 2.134 . . . . 0.0 111.813 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 79.6 m80 -123.49 152.64 41.52 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.359 0.412 . . . . 0.0 110.115 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.4 m -66.3 113.15 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 35.9 mmtm -123.55 135.31 53.93 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.204 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.462 0.169 0 CA-C-O 121.311 0.577 . . . . 0.0 112.097 179.781 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.9 p . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.923 0.392 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.8 125.11 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.398 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.452 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 64.6 mttp -81.17 -173.21 4.19 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.4 137.75 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.51 6.7 86.88 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 61.9 mt-10 -101.13 150.69 22.67 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.517 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.86 136.89 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 10' ' ' SER . 31.8 p -142.77 164.84 29.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.443 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.96 -34.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.695 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -67.54 28.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.133 0.492 . . . . 0.0 110.435 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.623 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 106.87 6.91 34.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -125.49 150.17 47.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.443 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -104.53 131.76 51.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 110.247 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.84 151.11 47.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.9 m -60.16 -24.45 64.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.72 84.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.83 -20.6 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.15 -37.39 64.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -98.2 -26.33 14.59 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.13 156.55 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.448 0.468 . . . . 0.0 110.5 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.5 p90 -134.58 162.65 31.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.23 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.5 106.73 55.52 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.548 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -52.48 150.46 20.9 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.843 2.362 . . . . 0.0 112.767 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.429 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 62.3 ttp -90.2 70.8 7.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 56.4 mp0 -138.61 -177.45 4.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.496 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.636 ' CD2' HG23 ' A' ' 28' ' ' ILE . 85.3 t80 -58.92 -46.56 87.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.636 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.4 pt -127.58 79.81 72.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.51 151.77 59.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 123.064 2.51 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.529 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 60.7 m80 -136.18 139.97 43.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.586 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.97 118.65 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 22.3 tptp -132.43 128.53 37.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.404 179.852 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.865 0.364 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.567 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -84.07 131.07 34.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.59 170.71 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.17 127.16 18.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.97 3.17 89.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -92.23 150.64 20.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -58.39 134.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.531 ' C ' ' H ' ' A' ' 11' ' ' TRP . 29.8 p -138.98 167.51 21.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.6 m 71.87 -29.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.749 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.531 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -69.73 40.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 0.0 110.337 179.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 96.32 5.28 59.31 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -131.5 149.6 52.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.774 0.321 . . . . 0.0 110.606 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -103.97 142.75 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.465 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.567 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 4.8 t -72.05 127.22 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.077 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -36.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.758 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -132.19 100.03 4.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.3 -5.65 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 57.2 p-10 -92.45 0.13 57.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.54 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 74.9 m-80 -137.06 -22.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -118.31 157.44 27.07 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.485 0.491 . . . . 0.0 110.398 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.6 p90 -134.26 161.43 34.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.186 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.481 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 94.6 m -104.33 109.16 62.21 Favored Pre-proline 0 N--CA 1.449 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.47 146.2 26.34 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.77 2.313 . . . . 0.0 112.141 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 78.8 mtm -78.47 67.15 4.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.669 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -137.16 173.88 11.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.395 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -70.83 -10.84 60.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 13.0 pt -143.51 68.89 17.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.274 0.559 . . . . 0.0 110.643 179.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.36 139.91 85.24 Favored 'Trans proline' 0 C--N 1.302 -1.91 0 C-N-CA 122.707 2.271 . . . . 0.0 112.156 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.0 m80 -125.48 133.5 52.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.429 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.8 m -52.15 115.99 1.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.51 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 55.3 tptt -126.58 126.0 42.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.579 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 179.322 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -75.53 106.3 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 59.2 mtpt -70.8 -179.31 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.307 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.86 128.22 35.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.051 0.453 . . . . 0.0 110.734 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.08 -6.66 83.44 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.448 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 11.2 mm-40 -84.5 151.11 24.81 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.921 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.35 133.58 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.981 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.452 ' C ' ' H ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -135.42 171.97 13.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 75.11 -33.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.452 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -70.24 21.31 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.295 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 118.51 -0.04 15.93 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -128.49 148.66 50.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.462 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -106.63 134.82 49.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.214 0.531 . . . . 0.0 110.22 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 4.9 t -64.01 155.66 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.973 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.34 -40.27 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -132.69 84.17 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.618 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.62 -15.65 63.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.61 -32.36 53.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -108.17 -12.04 15.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.817 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -125.16 158.23 34.46 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.368 0.417 . . . . 0.0 110.719 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -139.69 164.62 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.004 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.25 109.42 58.62 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD2' ' H ' ' A' ' 30' ' ' HIS . 68.3 Cg_exo -52.56 147.55 30.01 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.879 2.386 . . . . 0.0 112.589 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -85.17 67.91 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.643 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -134.81 -179.08 5.39 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.318 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CD2' HG23 ' A' ' 28' ' ' ILE . 83.9 t80 -59.55 -44.78 93.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.1 pt -126.08 79.41 69.45 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.98 149.43 79.47 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.93 2.42 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 61.2 m80 -137.71 137.09 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.378 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -43.31 119.28 1.54 Allowed 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -135.93 136.5 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.2 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.718 0.294 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -98.25 132.94 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.675 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.495 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 68.1 mttm -94.55 -167.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.565 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.0 127.03 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.07 0.462 . . . . 0.0 110.965 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.87 -6.7 82.51 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.413 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.495 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 78.2 mm-40 -86.75 146.7 26.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.771 0.319 . . . . 0.0 110.629 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.11 141.3 17.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.42 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.611 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.3 p -136.27 165.5 25.62 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.261 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.448 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 58.8 m 63.35 -28.9 0.09 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.626 0.579 . . . . 0.0 111.1 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.611 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.93 46.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.751 0.786 . . . . 0.0 109.693 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.08 -0.23 72.11 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.04 145.81 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.56 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -109.34 138.54 45.53 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.64 146.54 54.37 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.869 -1.059 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.64 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.905 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.58 68.18 2.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.14 -16.89 55.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -74.74 -39.07 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -106.16 -7.39 17.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.827 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' CE2' ' CG ' ' A' ' 33' ' ' LYS . 22.4 m-85 -127.98 154.18 45.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -131.54 168.54 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 12.2 t -103.42 107.28 55.4 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -58.16 -172.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.05 1.834 . . . . 0.0 112.991 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 64.7 ttp -140.82 94.52 2.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.55 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 28' ' ' ILE . 76.9 tt0 -163.42 57.05 0.18 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.467 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 67.92 -44.72 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.55 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 9.3 pt -134.56 73.3 68.26 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.54 144.4 99.43 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.8 2.333 . . . . 0.0 112.488 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 72.8 m80 -131.13 134.72 46.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.31 126.07 2.68 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -138.68 142.45 38.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' CG ' ' CE2' ' A' ' 21' ' ' PHE . 37.6 mtpt . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.732 178.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.871 0.367 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 7' ' ' GLU . . . -75.35 125.42 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.42 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.43 177.85 7.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.8 132.0 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.1 1.09 90.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 3' ' ' ALA . 3.2 tm-20 -94.4 146.43 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.994 0.426 . . . . 0.0 110.046 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.519 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 53.3 t -54.91 139.64 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.621 ' C ' ' H ' ' A' ' 11' ' ' TRP . 23.8 p -137.21 168.22 20.04 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 12' ' ' GLY . 74.0 m 63.03 -25.89 0.06 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.47 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.621 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.25 40.8 0.22 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 110.111 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 10.07 60.63 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -134.82 134.1 40.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.523 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -92.58 136.47 33.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.244 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.02 150.43 45.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.465 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -60.45 -40.59 91.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -131.15 82.39 2.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.754 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.27 -21.7 66.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -75.06 -35.48 61.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -103.44 -7.52 20.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.93 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -131.49 154.97 48.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 110.88 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -133.23 179.44 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.794 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.5 m -109.19 99.67 37.16 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.6 142.98 70.55 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 123.144 2.562 . . . . 0.0 112.033 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 mmt -90.66 80.21 5.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' A' ' 28' ' ' ILE . 98.8 mt-10 -141.51 40.9 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 70.29 -37.16 0.37 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.523 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 7.1 pt -131.22 77.04 75.22 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.224 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.03 139.37 87.37 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.623 2.215 . . . . 0.0 112.546 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 75.7 m80 -128.32 130.89 48.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' HIS . 32.5 m -38.47 98.6 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.149 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' HIS . 49.1 tptt -111.97 131.09 55.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.765 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttt . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.627 -179.485 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.522 -0.105 0 CA-C-O 120.779 0.323 . . . . 0.0 110.706 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.54 128.55 56.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -90.12 167.74 12.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.438 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -46.88 129.51 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.712 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 3.56 90.52 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -97.73 145.42 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -55.58 132.61 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.688 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -130.64 -156.93 0.79 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.78 0.324 . . . . 0.0 110.357 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t 63.98 -123.6 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -55.52 -33.04 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.467 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.4 -42.93 99.68 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 tttt 179.27 -156.76 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -114.08 134.13 55.08 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.071 0.462 . . . . 0.0 109.969 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.38 132.1 45.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.371 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -41.19 -36.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 16' ' ' CYS . 95.1 m-20 -138.59 88.3 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' PHE . 37.7 mt -69.01 -22.93 64.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.36 -36.28 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -97.52 -14.1 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 18' ' ' LEU . 56.0 m-85 -131.13 159.19 38.38 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.71 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.23 167.21 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.867 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.4 m -102.22 107.98 55.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.453 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.14 145.29 20.46 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.64 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.25 70.77 1.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.515 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.89 170.45 15.7 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -68.77 -15.44 63.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.419 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.537 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 15.4 pt -140.23 70.33 33.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.93 141.49 94.72 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.772 2.314 . . . . 0.0 112.151 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.9 m80 -124.35 134.99 52.99 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.432 0.458 . . . . 0.0 109.969 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.3 m -44.26 118.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -136.5 132.34 35.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.631 -179.778 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.1 p . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.755 0.312 . . . . 0.0 110.719 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.39 131.48 36.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 26.8 mtpp -96.95 169.63 9.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -46.83 128.11 10.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.87 90.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 41.2 tp10 -96.69 144.41 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.385 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.61 133.39 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.708 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 p -129.01 -154.52 0.64 Allowed 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.235 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m 64.25 -126.62 0.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 49.1 p-90 -57.26 -33.06 67.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.325 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -62.33 -40.97 99.72 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 175.94 -171.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.67 0.271 . . . . 0.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.022 0.439 . . . . 0.0 110.136 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.1 t -69.06 129.11 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.991 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.29 -37.19 0.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -134.01 88.03 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.781 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.83 -21.27 62.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -76.15 -34.86 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -98.56 -12.87 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.811 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -132.9 156.36 47.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -132.61 170.19 15.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.431 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.5 m -103.56 108.07 58.17 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.13 146.1 40.01 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.696 2.264 . . . . 0.0 112.249 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 97.7 mtp -77.28 72.23 3.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.679 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -139.22 177.16 8.11 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.294 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 28' ' ' ILE . 87.4 t80 -58.54 -45.34 89.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.212 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 27' ' ' PHE . 5.5 pt -126.43 79.89 70.11 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.273 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.22 141.26 88.29 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.946 2.43 . . . . 0.0 112.135 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.7 m80 -123.6 134.89 53.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.633 0.583 . . . . 0.0 110.607 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.8 m -43.7 115.97 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.107 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -130.23 131.83 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 ttmt . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.966 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.2 p -155.3 167.46 30.29 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.73 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.51 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -94.05 112.24 24.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.698 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.457 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 63.4 mttp -73.97 -177.89 3.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.416 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -57.74 128.5 37.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 110.992 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 87.66 -3.97 86.01 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.51 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 77.3 mm-40 -85.02 152.96 23.06 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.514 -179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 73.8 t -69.88 127.34 31.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-O 120.972 0.415 . . . . 0.0 111.024 -179.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 5.7 p -113.03 -170.73 1.73 Allowed 'General case' 0 C--N 1.334 -0.094 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.492 179.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.9 t 65.68 -114.79 0.29 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.049 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 42.2 p-90 -54.22 -29.7 47.39 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -77.1 -86.39 0.41 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -137.94 -171.04 2.92 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-O 121.051 0.453 . . . . 0.0 110.852 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 18.5 pttp -107.83 124.72 50.5 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 121.425 0.631 . . . . 0.0 109.712 179.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -52.88 129.74 31.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.427 -0.806 . . . . 0.0 109.88 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -47.01 -53.93 11.34 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.825 -179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -115.23 87.75 2.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.558 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.6 mt -68.46 -17.19 64.14 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.553 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 47.2 t0 -74.58 -42.21 59.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 -95.12 -13.67 24.88 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.632 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -128.95 154.21 46.79 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 34.2 p90 -129.22 159.5 35.88 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.024 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 34.2 t -102.9 109.28 60.97 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.947 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_exo -54.78 166.53 1.96 Allowed 'Trans proline' 0 N--CA 1.499 1.82 0 C-N-CA 122.713 2.275 . . . . 0.0 112.735 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 65.5 ttp -111.39 88.65 2.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.913 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 4.3 tt0 -156.01 -168.62 2.82 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.193 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.567 ' CD2' HG23 ' A' ' 28' ' ' ILE . 68.0 t80 -61.91 -46.62 88.56 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.72 -179.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.567 HG23 ' CD2' ' A' ' 27' ' ' PHE . 9.1 pt -134.5 75.78 62.98 Favored Pre-proline 0 C--N 1.332 -0.171 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.064 -179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.408 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 44.9 Cg_exo -58.85 146.22 93.93 Favored 'Trans proline' 0 C--N 1.305 -1.75 0 C-N-CA 122.819 2.346 . . . . 0.0 112.225 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.548 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 69.0 m80 -128.39 136.92 51.56 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.576 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.8 m -48.85 126.14 11.59 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.351 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -133.28 133.81 43.1 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.873 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 36.2 ttmt -74.55 135.82 42.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.258 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.4 ' O ' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -155.04 159.09 40.04 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.324 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.435 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -152.32 58.53 2.6 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.773 -179.071 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -68.13 148.71 75.7 Favored 'Trans proline' 0 C--N 1.3 -2.0 0 C-N-CA 122.541 2.161 . . . . 0.0 112.236 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -138.85 -10.24 1.34 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.007 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.633 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.8 p -138.75 71.93 42.56 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.573 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_exo -58.13 144.79 94.6 Favored 'Trans proline' 0 C--N 1.304 -1.782 0 C-N-CA 122.931 2.421 . . . . 0.0 112.011 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m -130.93 157.25 43.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.561 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.405 ' H ' HG22 ' A' ' 41' ' ' THR . 1.7 t -60.77 145.07 50.98 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.629 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 118.049 -0.976 . . . . 0.0 110.597 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 59.8 p30 . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 19.2 p -157.96 168.17 27.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.175 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -92.87 128.49 38.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.495 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -86.04 -162.06 0.7 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.266 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 57.7 tt0 -57.74 129.07 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.035 0.445 . . . . 0.0 110.672 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 63.14 31.74 81.75 Favored Glycine 0 CA--C 1.523 0.541 0 CA-C-N 115.671 -0.695 . . . . 0.0 112.073 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.543 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 80.7 mm-40 -112.08 28.3 8.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 121.135 -0.226 . . . . 0.0 111.445 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.432 ' O ' ' O ' ' A' ' 7' ' ' GLU . 53.8 t 59.15 138.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.3 p -143.53 -157.36 0.77 Allowed 'General case' 0 C--O 1.234 0.281 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.62 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.1 t 61.98 -130.47 0.65 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.619 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.6 p-90 -57.31 -33.18 67.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.322 -179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.41 -40.7 99.16 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.9 mttm 177.06 -178.45 0.17 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 120.784 0.326 . . . . 0.0 110.467 -179.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -102.46 126.98 49.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.115 0.483 . . . . 0.0 109.962 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.8 t -66.16 151.02 47.84 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.968 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.7 m -59.57 -40.99 89.15 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.447 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -131.92 88.56 2.57 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.066 0.46 . . . . 0.0 110.457 179.525 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.461 ' O ' ' O ' ' A' ' 21' ' ' PHE . 50.4 mt -65.22 -20.11 66.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.892 0.377 . . . . 0.0 110.319 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -76.6 -47.78 21.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.459 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -86.3 -7.21 58.67 Favored 'General case' 0 CA--C 1.519 -0.221 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.838 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.461 ' O ' ' O ' ' A' ' 18' ' ' LEU . 32.8 m-85 -132.72 158.68 41.76 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.597 179.414 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.491 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 34.8 p90 -133.17 161.06 35.44 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.514 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.4 m -102.79 108.83 59.58 Favored Pre-proline 0 CA--C 1.541 0.61 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.774 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.6 146.66 42.47 Favored 'Trans proline' 0 N--CA 1.496 1.66 0 C-N-CA 122.961 2.44 . . . . 0.0 112.007 179.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.508 ' O ' ' SD ' ' A' ' 25' ' ' MET . 14.1 tmm? -80.94 77.76 7.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.322 -179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -145.25 178.1 8.33 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.066 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.693 ' CD2' HG23 ' A' ' 28' ' ' ILE . 88.3 t80 -58.73 -46.38 87.52 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.265 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.693 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.3 pt -124.48 81.17 59.86 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.727 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_exo -58.19 148.34 78.96 Favored 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -125.77 149.67 48.38 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 123.548 0.53 . . . . 0.0 110.685 178.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 56.4 m -68.94 112.63 5.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.129 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.491 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 61.7 mmtt -119.87 161.09 21.41 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.653 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.449 ' O ' ' C ' ' A' ' 34' ' ' TYR . 98.8 mttt -97.05 64.42 1.97 Allowed 'General case' 0 C--N 1.331 -0.203 0 O-C-N 123.505 0.503 . . . . 0.0 111.91 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.449 ' C ' ' O ' ' A' ' 33' ' ' LYS . 75.7 m-85 33.01 -149.13 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 O-C-N 123.007 0.192 . . . . 0.0 110.936 178.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.401 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -131.69 56.94 26.92 Favored Pre-proline 0 N--CA 1.45 -0.451 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.401 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 50.8 Cg_endo -69.58 147.06 63.2 Favored 'Trans proline' 0 C--N 1.307 -1.651 0 C-N-CA 122.556 2.171 . . . . 0.0 111.819 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -110.3 -0.42 17.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.3 m -132.8 148.04 67.88 Favored Pre-proline 0 CA--C 1.532 0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.959 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.25 148.89 62.9 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.404 2.069 . . . . 0.0 112.389 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.1 t -62.39 -45.03 99.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.619 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 92.5 m -74.12 130.76 40.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.528 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.579 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 65.4 m-20 . . . . . 0 N--CA 1.488 1.466 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p -156.03 169.0 25.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.608 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.414 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -93.59 116.29 28.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.586 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.464 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 6.7 tptp -76.04 -168.22 0.88 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.345 179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -63.93 128.07 34.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.974 0.416 . . . . 0.0 111.326 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.99 3.19 89.36 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.464 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 78.0 mm-40 -88.1 152.62 21.88 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.163 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.22 134.06 25.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 30.7 p -134.85 -156.11 0.7 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 121.032 0.444 . . . . 0.0 110.606 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.0 t 63.43 -129.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.043 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.2 p-90 -56.19 -32.34 64.27 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.409 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.34 -42.25 99.23 Favored Glycine 0 CA--C 1.524 0.633 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.088 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.1 tptt -178.13 -155.68 0.03 OUTLIER 'General case' 0 C--O 1.233 0.203 0 CA-C-O 120.782 0.325 . . . . 0.0 110.335 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -121.32 131.87 54.45 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.118 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.414 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 5.5 t -71.48 129.94 40.04 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.681 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -39.47 -34.11 0.2 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.739 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -138.31 102.01 4.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.499 179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 41.4 mt -84.17 -11.26 56.86 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.505 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.525 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 58.0 p30 -86.9 -20.16 27.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.525 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 71.2 m-80 -111.11 -16.59 13.43 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.731 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -130.54 151.37 51.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.34 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 33.2 p90 -124.38 162.82 23.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.22 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 96.5 m -102.95 108.14 57.46 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.02 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.25 151.22 29.77 Favored 'Trans proline' 0 N--CA 1.497 1.73 0 C-N-CA 123.0 2.467 . . . . 0.0 112.192 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 61.4 tpp -81.59 90.61 6.29 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.098 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -159.71 -178.41 7.06 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.406 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.637 ' CD2' HG23 ' A' ' 28' ' ' ILE . 84.8 t80 -60.51 -46.69 89.22 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.694 -179.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.637 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.5 pt -126.64 79.98 70.78 Favored Pre-proline 0 CA--C 1.529 0.138 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.912 -179.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -56.27 145.17 78.89 Favored 'Trans proline' 0 N--CA 1.495 1.607 0 C-N-CA 122.806 2.337 . . . . 0.0 112.073 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.48 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.2 m80 -123.45 148.89 45.74 Favored 'General case' 0 C--O 1.222 -0.367 0 O-C-N 123.358 0.411 . . . . 0.0 110.183 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 97.7 m -64.25 120.26 11.83 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.752 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 39.0 mmtm -127.07 129.56 48.24 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.171 179.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -68.22 134.8 51.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.262 0.553 . . . . 0.0 111.736 -179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -157.97 167.39 30.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.973 -179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -128.87 86.3 57.83 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.073 -178.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -73.66 158.14 47.54 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.959 1.773 . . . . 0.0 112.378 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.2 p90 -150.74 160.11 44.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.467 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.5 m -112.18 147.68 37.47 Favored Pre-proline 0 CA--C 1.534 0.336 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.894 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -70.19 158.9 54.94 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.474 2.116 . . . . 0.0 112.224 179.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m -128.81 157.93 41.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.484 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 t -147.51 151.53 36.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.535 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.492 -179.953 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.662 ' SG ' ' N ' ' A' ' 3' ' ' ALA . 1.2 t -154.37 161.68 41.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.791 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.662 ' N ' ' SG ' ' A' ' 2' ' ' CYS . . . -96.97 115.49 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.48 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.434 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 68.0 mttm -83.27 -172.89 4.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.193 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -53.13 130.76 35.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.957 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 72.51 20.75 79.61 Favored Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.757 179.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.434 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 76.3 mm-40 -109.06 150.81 27.26 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 81.6 t -59.5 129.36 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.919 -178.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 27.0 p -132.46 -156.98 0.79 Allowed 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.513 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.3 t 64.18 -125.39 0.48 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.702 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 49.0 p-90 -55.0 -32.64 61.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.671 -179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -61.91 -44.07 98.33 Favored Glycine 0 CA--C 1.526 0.76 0 C-N-CA 120.558 -0.83 . . . . 0.0 111.308 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 60.2 tttt -178.98 -140.05 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 60.7 mtpt -128.32 139.41 52.42 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 121.084 0.468 . . . . 0.0 109.94 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.76 147.37 33.38 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.71 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.651 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 92.8 m -59.2 -41.17 87.91 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.981 -0.288 . . . . 0.0 110.884 -178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -128.42 96.6 4.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.073 0.463 . . . . 0.0 110.454 179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 33.7 mt -83.04 -6.38 59.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.567 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -91.22 -30.11 16.83 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -102.42 -15.55 16.48 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.049 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -129.0 162.28 27.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.304 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 37.8 p90 -133.44 161.75 33.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.785 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 60.0 m -102.11 108.16 55.65 Favored Pre-proline 0 CA--C 1.537 0.48 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.594 179.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -52.36 151.84 16.92 Favored 'Trans proline' 0 N--CA 1.498 1.786 0 C-N-CA 122.439 2.092 . . . . 0.0 112.574 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.5 ptm -86.73 39.41 0.84 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.921 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -102.78 -178.64 3.73 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 121.072 0.463 . . . . 0.0 110.418 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -59.88 -45.87 91.14 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.284 -179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.519 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 1.7 pt -124.06 82.44 56.41 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.157 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -57.57 140.6 93.85 Favored 'Trans proline' 0 N--CA 1.495 1.563 0 C-N-CA 122.803 2.335 . . . . 0.0 112.084 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.0 m80 -127.08 133.76 50.38 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 123.379 0.425 . . . . 0.0 110.273 178.014 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 86.8 m -48.55 122.38 5.45 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -132.82 128.54 36.93 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.526 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.16 136.3 53.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.524 0.678 . . . . 0.0 111.777 -179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -156.93 164.21 38.29 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.992 -1.004 . . . . 0.0 110.714 -179.557 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.459 ' H ' ' HD2' ' A' ' 35' ' ' LYS . 13.7 mptt 35.68 58.65 2.88 Favored Pre-proline 0 C--N 1.326 -0.453 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.095 179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_endo -71.84 154.74 58.63 Favored 'Trans proline' 0 C--N 1.305 -1.726 0 C-N-CA 122.705 2.27 . . . . 0.0 112.139 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -116.33 -113.59 0.34 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.413 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.2 t -132.87 71.05 78.62 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.347 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -74.42 158.13 44.63 Favored 'Trans proline' 0 N--CA 1.494 1.545 0 C-N-CA 122.483 2.122 . . . . 0.0 112.292 -179.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.2 t -76.05 126.34 36.66 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.738 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 12.1 t -152.31 156.86 40.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.54 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.586 179.889 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 23.8 p -154.64 170.31 21.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.603 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.628 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -96.72 133.56 41.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.583 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.416 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 68.6 mttm -99.16 -168.99 1.7 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.603 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -66.18 128.18 35.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.934 0.397 . . . . 0.0 110.8 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.62 -6.25 82.94 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.136 -0.786 . . . . 0.0 111.136 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.416 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 93.6 mt-10 -91.15 150.85 21.21 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.874 0.369 . . . . 0.0 110.442 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.5 t -60.03 139.93 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.906 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.1 p -128.68 164.07 23.73 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.43 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.405 ' C ' ' N ' ' A' ' 12' ' ' GLY . 8.2 t 59.44 -148.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.52 -179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 49.44 17.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.677 -179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.405 ' N ' ' C ' ' A' ' 10' ' ' SER . . . 117.67 2.04 17.25 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.294 -0.723 . . . . 0.0 111.294 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 56.6 mtpt -126.68 150.49 48.96 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.576 -0.157 . . . . 0.0 110.576 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -115.86 129.9 56.61 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 121.203 0.525 . . . . 0.0 110.225 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.628 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 6.5 t -74.92 141.47 44.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.988 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -49.67 -35.3 21.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.095 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -136.2 85.81 2.18 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.929 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 ' O ' ' O ' ' A' ' 21' ' ' PHE . 36.5 mt -71.38 -19.62 62.25 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.462 -0.336 . . . . 0.0 110.896 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -76.84 -49.45 15.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.511 -179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -80.54 -14.61 58.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.907 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' O ' ' O ' ' A' ' 18' ' ' LEU . 31.8 m-85 -126.28 156.52 40.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.728 0.299 . . . . 0.0 110.476 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.449 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 28.3 p90 -127.84 162.36 26.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.167 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.2 m -102.6 108.99 59.83 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.156 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 46.8 Cg_exo -54.75 151.23 33.05 Favored 'Trans proline' 0 N--CA 1.496 1.623 0 C-N-CA 122.949 2.433 . . . . 0.0 112.279 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.8 mmt -85.14 68.94 10.7 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.672 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -136.53 177.09 8.12 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.298 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 81.4 t80 -60.18 -39.17 85.54 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.54 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.473 HD12 ' H ' ' A' ' 28' ' ' ILE . 1.1 pp -128.34 76.62 78.02 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.602 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_exo -58.39 141.1 96.79 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.827 2.352 . . . . 0.0 112.201 -179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 42.3 m80 -120.06 147.84 44.32 Favored 'General case' 0 C--O 1.222 -0.376 0 O-C-N 123.351 0.407 . . . . 0.0 110.347 178.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.64 106.88 3.21 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.73 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 27.8 mmtp -111.38 127.91 55.81 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.511 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.8 tttt -70.53 129.87 40.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.039 0.447 . . . . 0.0 110.911 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' O ' ' C ' ' A' ' 35' ' ' LYS . 0.3 OUTLIER -150.17 159.63 44.28 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.226 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 34' ' ' TYR . 14.1 mptt 33.24 64.03 1.43 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.131 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -49.47 -65.19 0.17 Allowed 'Trans proline' 0 C--N 1.307 -1.631 0 C-N-CA 122.441 2.094 . . . . 0.0 112.242 -179.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -142.46 159.77 41.58 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.87 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.612 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.2 m -129.55 67.1 78.53 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.639 179.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -73.43 157.07 49.77 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.752 2.301 . . . . 0.0 112.103 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.5 t -100.82 123.7 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.579 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 10.6 t -72.34 146.48 47.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.466 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 42' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.661 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 26.2 p -154.21 162.02 41.45 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.011 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -78.59 147.99 33.47 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.487 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.474 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 59.9 mtpt -115.81 171.52 7.71 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.61 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -49.23 126.31 12.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.065 0.459 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.45 4.35 89.1 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.474 ' OE1' ' N ' ' A' ' 4' ' ' LYS . 75.1 tt0 -94.22 147.99 22.64 Favored 'General case' 0 C--N 1.33 -0.283 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.311 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.4 t -57.66 138.9 17.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.684 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.434 ' C ' ' H ' ' A' ' 11' ' ' TRP . 19.2 p -133.71 156.38 48.05 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.68 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.529 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.7 t 72.0 -40.96 0.49 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.228 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.442 ' O ' ' CE3' ' A' ' 11' ' ' TRP . 10.4 t90 -55.4 -5.39 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.031 -179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.529 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 146.75 1.73 0.6 Allowed Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.094 -0.802 . . . . 0.0 111.094 -179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -130.99 148.34 52.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.893 0.378 . . . . 0.0 110.743 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 56.6 mtmt -107.75 134.03 51.3 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.933 179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.449 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 0.9 OUTLIER -58.57 125.64 24.25 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.82 -179.382 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.83 66.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.03 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.541 ' OD2' ' CE1' ' A' ' 21' ' ' PHE . 97.6 m-20 -76.56 -41.29 47.06 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.034 -179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.3 mt 41.38 20.17 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.191 0.52 . . . . 0.0 110.795 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' ASP . 65.2 t0 -135.68 -67.54 0.53 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.901 -179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.3 m-20 -80.88 -7.14 59.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.455 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.541 ' CE1' ' OD2' ' A' ' 17' ' ' ASP . 31.9 m-85 -122.42 148.88 44.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.059 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.0 p90 -123.75 159.75 28.79 Favored 'General case' 0 CA--C 1.515 -0.389 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.282 -179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 27.4 t -104.79 108.89 62.17 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.764 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_exo -54.58 167.94 1.25 Allowed 'Trans proline' 0 N--CA 1.498 1.779 0 C-N-CA 122.305 2.003 . . . . 0.0 113.188 -179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 27.9 ttt -112.19 88.51 2.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.083 179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 6.3 tt0 -156.82 -167.92 2.51 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.605 ' CD2' HG23 ' A' ' 28' ' ' ILE . 72.9 t80 -61.71 -47.18 86.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.884 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.605 HG23 ' CD2' ' A' ' 27' ' ' PHE . 10.7 pt -134.12 75.1 66.54 Favored Pre-proline 0 CA--C 1.529 0.168 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.181 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.422 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 52.7 Cg_exo -58.63 149.85 73.59 Favored 'Trans proline' 0 C--N 1.306 -1.664 0 C-N-CA 122.943 2.429 . . . . 0.0 112.295 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.543 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 73.4 m80 -130.74 140.98 50.36 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.533 -0.467 . . . . 0.0 110.778 178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.9 m -56.86 125.36 22.14 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.09 179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 28.4 tptp -136.55 135.61 38.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.175 -179.257 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.7 ttmm -70.86 135.55 48.13 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.181 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -151.25 169.73 21.22 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.309 -179.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.2 OUTLIER -131.06 90.39 39.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.792 -178.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -77.33 19.81 0.7 Allowed 'Trans proline' 0 N--CA 1.494 1.51 0 C-N-CA 122.066 1.844 . . . . 0.0 112.617 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 69.88 19.5 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.369 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.4 t -139.48 71.68 38.03 Favored Pre-proline 0 C--N 1.331 -0.214 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.505 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -57.37 -35.47 98.87 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 123.008 2.472 . . . . 0.0 112.071 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 32.7 m -132.85 160.63 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.672 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 94.7 m -113.11 128.48 56.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.561 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 65.4 p . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.658 179.953 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 8.7 p -157.37 164.55 37.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.202 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.46 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -72.73 136.63 45.58 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.58 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -95.25 171.36 8.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.524 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 83.9 tt0 -50.32 128.76 20.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.237 0.541 . . . . 0.0 111.126 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 81.01 2.16 90.31 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.831 -0.907 . . . . 0.0 110.831 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.3 tt0 -91.76 150.74 20.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.346 -179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.3 t -57.99 135.05 22.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.006 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -142.62 160.09 40.98 Favored 'General case' 0 C--N 1.332 -0.163 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.41 179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.51 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER 71.44 -42.14 0.52 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.732 -179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.458 ' H ' ' C ' ' A' ' 9' ' ' CYS . 82.8 t90 -55.42 -5.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.162 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.51 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 147.18 2.84 0.49 Allowed Glycine 0 CA--C 1.527 0.802 0 N-CA-C 110.949 -0.861 . . . . 0.0 110.949 -179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.59 150.67 51.63 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.84 0.352 . . . . 0.0 110.792 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.4 mtpp -97.74 139.33 33.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.137 0.494 . . . . 0.0 110.287 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.46 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 6.5 t -73.7 147.77 43.31 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.318 -179.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 95.8 m -59.69 -41.0 89.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.671 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -124.62 91.57 3.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.617 179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 27.4 mt -80.42 -5.55 56.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.838 0.352 . . . . 0.0 110.801 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -96.98 -7.28 33.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.021 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -130.23 -8.54 4.27 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.653 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' A' ' 21' ' ' PHE . 17.9 m-85 -129.4 161.23 30.82 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 -179.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 22' ' ' TYR . 40.3 p90 -136.17 161.07 36.76 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.234 -179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 97.8 m -103.14 108.83 60.12 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.291 179.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -49.76 159.37 1.57 Allowed 'Trans proline' 0 N--CA 1.496 1.635 0 C-N-CA 122.833 2.355 . . . . 0.0 112.461 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.7 mpp? -80.77 -4.39 54.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.922 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -63.46 155.61 28.66 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 121.096 0.474 . . . . 0.0 109.914 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.581 ' CD1' HG23 ' A' ' 28' ' ' ILE . 30.8 p90 -58.7 -12.2 3.97 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.748 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.581 HG23 ' CD1' ' A' ' 27' ' ' PHE . 11.3 pt -135.97 73.09 60.09 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.141 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -61.27 138.93 80.33 Favored 'Trans proline' 0 C--N 1.303 -1.861 0 C-N-CA 122.55 2.167 . . . . 0.0 111.865 -179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.9 m80 -126.77 136.38 52.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.339 178.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.9 m -49.96 106.41 0.12 Allowed 'General case' 0 CA--C 1.518 -0.288 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.181 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.6 tptp -118.18 127.21 53.54 Favored 'General case' 0 CA--C 1.516 -0.335 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.751 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -76.71 141.7 40.78 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.362 0.601 . . . . 0.0 110.542 179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.48 ' HD1' ' H ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -149.43 -158.49 0.92 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.482 -178.885 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.37 98.13 47.98 Favored Pre-proline 0 CA--C 1.542 0.651 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.628 179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -52.61 145.33 38.69 Favored 'Trans proline' 0 N--CA 1.502 1.985 0 C-N-CA 122.6 2.2 . . . . 0.0 112.108 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.8 m-85 -109.32 146.74 33.85 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.443 -179.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -62.59 149.07 89.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.957 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.49 155.62 68.45 Favored 'Trans proline' 0 N--CA 1.494 1.528 0 C-N-CA 122.427 2.085 . . . . 0.0 112.139 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.2 p -111.7 145.72 17.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.417 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.1 m 63.55 81.81 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.427 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 40.4 p . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.54 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 29.8 p -158.14 169.12 25.24 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.887 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.509 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -94.0 123.27 37.25 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.572 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 7.6 tptp -80.1 -168.08 1.52 Allowed 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.487 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -61.93 128.23 35.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.796 0.331 . . . . 0.0 111.277 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.39 86.74 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 111.199 -0.761 . . . . 0.0 111.199 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.509 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 77.4 mm-40 -87.02 153.13 21.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.133 -179.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 76.2 t -61.34 127.67 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.943 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.499 ' O ' ' SG ' ' A' ' 9' ' ' CYS . 31.1 p -138.32 114.45 10.15 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 110.342 179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.492 ' N ' ' O ' ' A' ' 13' ' ' LYS . 41.2 t -175.26 -138.83 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.254 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 43.6 p-90 -60.44 -40.16 90.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.625 -179.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.508 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -65.39 -46.85 84.29 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.758 -0.734 . . . . 0.0 111.779 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.3 mttt -146.27 165.09 30.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.603 0.24 . . . . 0.0 110.842 -179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -116.36 142.32 47.01 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 121.328 0.585 . . . . 0.0 109.944 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 5.2 t -64.25 134.68 55.21 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.844 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -49.78 -66.05 0.46 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.762 0.315 . . . . 0.0 110.828 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -101.82 96.59 7.16 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.385 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 17.9 mt -81.3 -10.94 59.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.409 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.535 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 56.9 p-10 -87.22 -1.47 57.92 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.739 179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.535 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 72.3 m-80 -129.96 -32.05 1.88 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -117.91 146.91 43.61 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 35.6 p90 -118.06 162.39 18.26 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.195 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 94.2 m -104.36 107.6 58.08 Favored Pre-proline 0 CA--C 1.541 0.632 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.573 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -50.7 151.36 10.88 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 122.907 2.405 . . . . 0.0 112.598 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.6 mtt -82.19 75.33 9.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.744 -179.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -142.93 178.78 7.44 Favored 'General case' 0 N--CA 1.454 -0.255 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.4 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.603 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.5 t80 -58.98 -45.72 89.88 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.349 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.603 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.6 pt -127.57 79.69 73.03 Favored Pre-proline 0 CA--C 1.531 0.241 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.449 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -56.55 147.2 71.09 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 122.846 2.364 . . . . 0.0 112.044 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 70.6 m80 -124.11 129.63 51.18 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.56 0.538 . . . . 0.0 110.399 179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 99.6 m -49.78 124.58 10.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.481 -179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 2.7 tppp? -138.11 128.4 26.06 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.717 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HG2' ' H ' ' A' ' 33' ' ' LYS . 9.0 ptpt -66.94 139.15 57.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.121 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -155.63 164.94 37.96 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.527 -0.76 . . . . 0.0 109.848 -179.393 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.0 OUTLIER -21.31 86.06 0.04 OUTLIER Pre-proline 0 N--CA 1.474 0.756 0 O-C-N 124.752 1.282 . . . . 0.0 110.807 -179.809 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.522 ' N ' ' O ' ' A' ' 34' ' ' TYR . 31.4 Cg_exo -58.82 151.83 61.64 Favored 'Trans proline' 0 C--N 1.311 -1.443 0 C-N-CA 123.004 2.47 . . . . 0.0 111.956 -178.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.1 m-85 -102.36 141.75 34.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.293 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.1 t -128.83 71.8 81.45 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.557 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -74.14 159.8 43.61 Favored 'Trans proline' 0 C--N 1.311 -1.42 0 C-N-CA 122.831 2.354 . . . . 0.0 112.206 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.6 t -67.63 127.91 30.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.463 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 95.2 m -124.75 130.31 52.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.638 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.591 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 25.2 p -151.6 164.94 35.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.44 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -91.04 116.31 28.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.509 179.573 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 18.3 tptt -75.24 -169.68 1.02 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.096 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -65.1 128.23 34.91 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.057 0.456 . . . . 0.0 111.331 179.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.67 1.95 87.47 Favored Glycine 0 CA--C 1.521 0.454 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.472 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 79.6 mm-40 -84.79 153.25 23.11 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.189 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.6 t -62.58 134.71 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.593 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.453 ' C ' ' H ' ' A' ' 11' ' ' TRP . 22.3 p -139.17 164.95 28.46 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.078 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.6 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.3 -31.58 0.19 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.706 -179.798 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.453 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -69.46 27.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.21 0.528 . . . . 0.0 110.373 179.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.6 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 105.2 2.21 41.58 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 59.3 mtpt -121.28 144.76 48.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.857 0.361 . . . . 0.0 110.331 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -101.8 134.1 45.51 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.228 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 5.7 t -71.36 128.89 37.37 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.489 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -40.07 -37.09 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.111 -178.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -134.5 86.38 2.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.716 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -70.01 -21.1 63.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.61 179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -74.78 -36.35 62.53 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.729 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -94.92 -22.55 17.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.937 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -120.21 156.65 30.72 Favored 'General case' 0 C--N 1.329 -0.306 0 O-C-N 123.777 0.673 . . . . 0.0 110.504 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.444 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 26.5 p90 -131.81 162.08 31.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.337 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 82.7 m -102.53 107.63 54.6 Favored Pre-proline 0 CA--C 1.537 0.448 0 O-C-N 123.636 0.585 . . . . 0.0 111.351 -179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -54.07 152.92 22.57 Favored 'Trans proline' 0 N--CA 1.495 1.579 0 C-N-CA 122.879 2.386 . . . . 0.0 112.49 179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 79.2 mtm -86.88 82.8 7.68 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.277 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -152.56 -179.49 7.63 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.345 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.657 ' CD2' HG23 ' A' ' 28' ' ' ILE . 85.4 t80 -59.44 -46.38 88.91 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.447 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.657 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.9 pt -125.43 80.29 65.76 Favored Pre-proline 0 CA--C 1.531 0.236 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.19 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 41.5 Cg_exo -58.72 147.75 86.32 Favored 'Trans proline' 0 N--CA 1.495 1.582 0 C-N-CA 122.769 2.313 . . . . 0.0 112.224 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.524 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 73.5 m80 -128.43 149.28 50.62 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.373 178.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 63.7 m -65.77 117.24 7.89 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.444 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 67.6 mmtt -124.36 126.5 46.09 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 120.887 -0.325 . . . . 0.0 110.759 179.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt -68.97 129.59 40.38 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 121.207 0.527 . . . . 0.0 111.874 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.593 ' CE1' ' NZ ' ' A' ' 35' ' ' LYS . 1.0 OUTLIER -145.93 -6.22 0.59 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.514 -0.767 . . . . 0.0 110.928 -179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.593 ' NZ ' ' CE1' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -127.43 70.6 76.29 Favored Pre-proline 0 CA--C 1.54 0.566 0 CA-C-O 121.424 0.63 . . . . 0.0 111.315 179.032 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -78.65 176.27 10.08 Favored 'Trans proline' 0 C--N 1.312 -1.36 0 C-N-CA 123.021 2.481 . . . . 0.0 111.519 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -110.04 140.81 43.67 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.09 -179.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.5 t -67.16 122.3 82.17 Favored Pre-proline 0 CA--C 1.538 0.514 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.828 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -75.6 162.97 34.84 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 122.077 1.852 . . . . 0.0 112.275 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 m -127.66 156.71 39.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.8 t -66.88 -34.45 77.81 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.612 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.902 -1.047 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 27.0 p -154.33 163.73 39.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -82.87 128.8 34.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.534 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.466 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 99.0 mttt -87.44 179.99 6.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.76 132.11 52.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.118 0.485 . . . . 0.0 110.818 -179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.41 -5.53 84.28 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.447 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.466 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 90.0 mt-10 -91.28 148.83 22.06 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 120.384 -0.526 . . . . 0.0 110.347 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 89.6 t -66.7 134.03 30.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.92 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.639 ' SG ' ' N ' ' A' ' 10' ' ' SER . 0.5 OUTLIER -134.34 -168.93 2.23 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.185 -179.644 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.639 ' N ' ' SG ' ' A' ' 9' ' ' CYS . 19.6 t 63.36 -100.45 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.506 -0.316 . . . . 0.0 111.558 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.4 p-90 -57.94 -29.72 65.39 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.824 -0.351 . . . . 0.0 110.135 -178.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -94.25 -79.98 1.47 Allowed Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 10' ' ' SER . 98.6 mttt -124.02 -175.44 3.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 0.0 110.913 -179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -106.23 127.39 53.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.221 0.534 . . . . 0.0 109.684 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.31 133.35 50.37 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 0.0 109.851 -179.45 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -52.59 -26.45 13.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.178 -179.023 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -139.66 76.44 1.56 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.985 0.421 . . . . 0.0 110.614 179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -64.49 -20.14 66.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.829 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -74.15 -38.04 63.86 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.888 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -101.71 -18.01 16.02 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.88 -0.328 . . . . 0.0 110.884 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -117.49 150.71 38.49 Favored 'General case' 0 C--N 1.33 -0.249 0 O-C-N 123.257 0.348 . . . . 0.0 110.262 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -129.09 160.71 31.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.449 ' O ' ' O ' ' A' ' 24' ' ' PRO . 0.0 OUTLIER -105.85 103.76 45.68 Favored Pre-proline 0 CA--C 1.536 0.418 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.094 179.725 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.449 ' O ' ' O ' ' A' ' 23' ' ' CYS . 51.5 Cg_exo -48.73 -174.16 0.0 OUTLIER 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 122.448 2.099 . . . . 0.0 112.28 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.2 ptt? -131.15 41.7 3.31 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.103 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.534 ' O ' ' N ' ' A' ' 28' ' ' ILE . 87.8 tt0 -112.22 74.9 0.89 Allowed 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.701 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.2 t80 61.16 -67.6 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.221 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.534 ' N ' ' O ' ' A' ' 26' ' ' GLU . 5.6 pt -119.97 85.52 34.86 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.476 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_exo -57.51 152.43 47.65 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.905 2.403 . . . . 0.0 112.125 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 50.8 m80 -132.51 138.94 47.71 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 123.493 0.496 . . . . 0.0 110.522 177.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 12.8 m -53.04 118.23 3.58 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.099 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -131.98 128.01 37.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.603 -179.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -73.12 132.89 43.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.039 0.447 . . . . 0.0 110.884 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 4.4 p90 -143.54 -166.88 2.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.646 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.09 104.74 48.58 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.664 -179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -77.65 160.24 31.5 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.878 1.719 . . . . 0.0 112.279 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.2 m-85 -126.77 145.92 50.43 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.456 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.569 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.2 p -131.05 65.53 76.95 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.519 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -72.46 153.64 55.38 Favored 'Trans proline' 0 C--N 1.31 -1.45 0 C-N-CA 122.583 2.189 . . . . 0.0 112.326 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 94.9 t -80.16 128.38 38.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.449 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 97.0 m -109.67 127.68 54.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.465 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.435 ' H ' HG22 ' A' ' 42' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.587 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 2' ' ' CYS . 57.3 p-10 . . . . . 0 N--CA 1.489 1.511 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.494 ' N ' ' OD1' ' A' ' 1' ' ' ASP . 30.1 p -151.86 163.83 38.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.456 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.412 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -92.03 118.78 31.11 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.419 179.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 63.4 mttp -79.36 -175.09 4.52 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.202 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -59.56 135.26 57.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 0.0 111.041 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 78.05 3.57 84.97 Favored Glycine 0 CA--C 1.527 0.786 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.159 179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 72.2 mm-40 -93.06 153.63 18.58 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.63 -179.274 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.3 135.19 27.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.623 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.467 ' C ' ' H ' ' A' ' 11' ' ' TRP . 31.2 p -139.87 166.78 23.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.128 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.2 m 74.55 -28.69 0.19 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.025 -179.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.467 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.2 OUTLIER -71.23 39.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.539 0.685 . . . . 0.0 109.888 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 97.23 -4.92 62.74 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -115.29 154.18 29.57 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-O 120.837 0.351 . . . . 0.0 110.409 179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -110.06 139.82 44.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.163 0.506 . . . . 0.0 110.301 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.6 t -72.74 129.12 37.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.507 -179.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.28 -31.36 0.22 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.958 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.26 96.94 3.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.606 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 44.1 mt -84.16 -8.98 58.92 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.876 0.37 . . . . 0.0 110.579 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.519 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 56.2 p-10 -92.89 3.95 54.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.861 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.519 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 72.7 m-80 -139.12 -22.23 0.93 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -119.07 154.3 33.39 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 123.538 0.524 . . . . 0.0 110.22 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 33.7 p90 -129.96 161.01 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.261 -179.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.504 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 91.1 m -103.62 108.5 59.65 Favored Pre-proline 0 N--CA 1.449 -0.513 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.44 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -52.21 148.0 26.21 Favored 'Trans proline' 0 N--CA 1.499 1.81 0 C-N-CA 122.811 2.341 . . . . 0.0 112.744 179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.426 ' HG2' ' H ' ' A' ' 25' ' ' MET . 14.8 ptp -79.86 65.76 5.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.851 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -133.49 178.54 6.84 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.528 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.491 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.4 t80 -59.29 -43.35 92.58 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.235 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.491 HG23 ' CD2' ' A' ' 27' ' ' PHE . 7.2 pt -127.13 79.22 73.38 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.638 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -56.5 141.54 90.2 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.742 2.295 . . . . 0.0 112.064 -179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.457 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 67.1 m80 -121.93 134.07 54.85 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.575 178.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.8 m -52.61 118.44 3.62 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.366 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 27.3 tptp -130.89 128.16 39.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.45 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -68.39 135.79 52.31 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.371 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.4 p90 -155.21 -170.73 3.56 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.679 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.432 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -102.79 112.77 65.97 Favored Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.651 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -75.17 152.43 39.98 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 121.882 1.722 . . . . 0.0 112.48 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -153.81 160.68 42.32 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.439 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.5 m -106.17 147.1 34.25 Favored Pre-proline 0 CA--C 1.533 0.304 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.696 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.75 -23.91 47.9 Favored 'Trans proline' 0 N--CA 1.493 1.482 0 C-N-CA 122.305 2.003 . . . . 0.0 112.303 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 42' ' ' THR . 11.9 p -145.85 140.43 21.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.658 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.3 p -70.02 -27.04 64.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.527 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.723 ' H ' HG22 ' A' ' 40' ' ' VAL . 66.6 m . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.63 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.416 ' CG ' ' N ' ' A' ' 2' ' ' CYS . 58.9 p30 . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 38.1 t -151.04 154.62 37.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.24 -179.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.558 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -106.51 115.19 29.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.696 179.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.414 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 6.8 tptm -78.14 -161.98 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.935 179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -63.2 132.41 51.63 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.185 0.516 . . . . 0.0 111.465 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 73.06 16.5 78.48 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.558 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 75.8 mm-40 -103.01 151.37 22.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.189 -179.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 79.7 t -58.9 136.01 22.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.109 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.631 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.7 p -135.36 167.15 21.57 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.515 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.486 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 48.2 m 62.25 -23.61 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.366 -178.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.631 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.56 39.26 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.495 0.664 . . . . 0.0 109.87 179.453 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.455 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 93.08 7.53 62.33 Favored Glycine 0 CA--C 1.525 0.712 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -128.17 148.81 50.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.777 0.322 . . . . 0.0 110.358 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -108.8 135.82 49.38 Favored 'General case' 0 CA--C 1.516 -0.337 0 CA-C-O 121.361 0.6 . . . . 0.0 109.89 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 3.5 t -70.89 141.95 51.17 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.052 -179.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.62 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 89.2 m -59.44 -41.88 90.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.625 -178.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -123.38 80.2 1.76 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.609 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.08 -14.99 62.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.472 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -74.96 -37.63 61.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.93 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -103.6 -22.63 13.57 Favored 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.223 -179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -114.21 144.24 43.53 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.4 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 32.7 p90 -117.24 161.71 19.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.124 -179.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.486 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 16.9 t -106.75 106.75 58.84 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.052 -179.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.43 163.43 1.74 Allowed 'Trans proline' 0 N--CA 1.496 1.672 0 C-N-CA 122.374 2.049 . . . . 0.0 113.287 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.2 mtt -107.78 61.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.703 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 29' ' ' PRO . 99.4 mt-10 -127.01 -171.4 2.4 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.212 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.591 ' CD2' HG23 ' A' ' 28' ' ' ILE . 78.9 t80 -60.75 -46.83 88.92 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.413 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.591 HG23 ' CD2' ' A' ' 27' ' ' PHE . 8.2 pt -130.81 75.91 77.98 Favored Pre-proline 0 CA--C 1.529 0.173 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.949 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.415 ' HG3' ' H ' ' A' ' 26' ' ' GLU . 49.6 Cg_exo -58.97 145.27 98.04 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 C-N-CA 122.98 2.453 . . . . 0.0 112.483 -179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.5 m80 -129.87 138.01 50.73 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.456 0.472 . . . . 0.0 110.283 178.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 58.3 m -52.03 127.9 22.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.256 -179.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 19.9 tptm -137.93 129.49 28.06 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.994 -179.562 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.6 ttmt -69.37 133.21 47.53 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.268 179.656 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.6 p90 -146.47 -170.98 3.64 Favored 'General case' 0 CA--C 1.517 -0.292 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.343 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.598 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 6.5 mptt -95.1 114.42 63.67 Favored Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.444 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.4 Cg_endo -75.61 155.74 40.21 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 121.94 1.76 . . . . 0.0 112.588 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.7 p90 -149.05 147.32 28.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.036 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.543 ' N ' ' CD ' ' A' ' 39' ' ' PRO . 0.2 OUTLIER -99.89 -42.84 0.22 Allowed Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.823 179.23 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . 0.543 ' CD ' ' N ' ' A' ' 38' ' ' VAL . 97.3 Cg_endo -81.72 159.94 18.99 Favored 'Trans proline' 0 C--N 1.315 -1.225 0 C-N-CA 122.038 1.825 . . . . 0.0 112.461 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 59.1 t -61.02 -44.62 98.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.437 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.2 m 60.27 60.55 2.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.654 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.0 m . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.6 179.945 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 2' ' ' CYS . 66.3 t0 . . . . . 0 N--CA 1.489 1.486 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.598 ' SG ' ' N ' ' A' ' 16' ' ' CYS . 11.6 t -150.34 153.95 36.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.292 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.67 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -87.66 117.42 26.46 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.625 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -90.04 -179.26 5.64 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.156 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 50.1 tt0 -53.47 127.55 25.5 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.193 0.52 . . . . 0.0 111.298 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 70.73 15.44 73.54 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 59.3 tt0 -98.96 141.93 31.1 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.426 HG22 ' NE2' ' A' ' 30' ' ' HIS . 72.5 t -54.21 134.47 17.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.603 -178.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' SER . 31.5 p -136.88 170.15 16.57 Favored 'General case' 0 CA--C 1.523 -0.081 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.304 -179.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.536 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER 81.11 -26.48 0.15 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.893 -179.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -70.83 38.97 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.532 0.682 . . . . 0.0 109.942 179.634 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.536 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 -1.02 71.1 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -115.33 148.96 38.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.61 0.243 . . . . 0.0 110.482 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -107.75 134.97 49.96 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.301 0.572 . . . . 0.0 110.156 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.67 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 7.8 t -65.49 136.31 56.27 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.889 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.598 ' N ' ' SG ' ' A' ' 2' ' ' CYS . 84.6 m -50.02 -11.62 0.07 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.557 -179.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' N ' ' C ' ' A' ' 15' ' ' CYS . 45.7 m-20 -160.07 87.27 0.78 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.014 0.435 . . . . 0.0 110.772 179.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' PHE . 67.6 mt -68.01 -21.24 65.05 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.798 179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 66.6 t0 -75.09 -49.34 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.082 -179.562 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 71.7 m-80 -81.52 -25.0 36.3 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.937 -179.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' A' ' 18' ' ' LEU . 46.4 m-85 -119.94 156.36 30.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.211 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.451 ' CE2' ' HB2' ' A' ' 32' ' ' LYS . 25.8 p90 -132.36 161.81 32.65 Favored 'General case' 0 C--O 1.238 0.493 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.316 -179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 69.3 m -103.26 107.73 56.6 Favored Pre-proline 0 CA--C 1.545 0.776 0 O-C-N 123.705 0.628 . . . . 0.0 110.912 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.437 ' HD2' ' N ' ' A' ' 30' ' ' HIS . 53.7 Cg_exo -50.02 157.55 2.76 Favored 'Trans proline' 0 N--CA 1.493 1.499 0 C-N-CA 122.904 2.403 . . . . 0.0 112.627 179.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 ptm -87.27 42.22 1.02 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.274 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -111.43 174.89 5.65 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.168 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.46 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.3 OUTLIER -69.27 -14.02 62.72 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.804 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 14.2 pt -139.99 69.43 35.61 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.339 179.253 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo -60.13 136.75 71.0 Favored 'Trans proline' 0 C--N 1.308 -1.577 0 C-N-CA 122.501 2.134 . . . . 0.0 111.813 -179.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 79.6 m80 -123.49 152.64 41.52 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 123.359 0.412 . . . . 0.0 110.115 178.394 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 96.4 m -66.3 113.15 4.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.451 ' HB2' ' CE2' ' A' ' 22' ' ' TYR . 35.9 mmtm -123.55 135.31 53.93 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.204 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -68.55 138.37 55.07 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.311 0.577 . . . . 0.0 112.097 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -159.73 174.65 14.19 Favored 'General case' 0 N--CA 1.454 -0.265 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.949 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.47 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -112.13 99.01 44.8 Favored Pre-proline 0 CA--C 1.539 0.525 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.515 -179.213 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -76.47 152.13 33.77 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.89 1.726 . . . . 0.0 112.201 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -143.38 13.27 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.566 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 m -67.22 148.35 98.8 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.76 -179.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.15 158.89 55.0 Favored 'Trans proline' 0 N--CA 1.495 1.585 0 C-N-CA 122.473 2.115 . . . . 0.0 112.192 179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 9.1 p -128.6 136.71 59.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.518 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.2 t -82.81 -30.65 28.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.659 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.8 p . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.896 -1.049 . . . . 0.0 110.546 -179.92 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.5 t70 . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 21.9 p -158.58 164.82 35.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.031 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -84.8 125.11 32.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.398 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.452 ' H ' ' CD ' ' A' ' 7' ' ' GLU . 64.6 mttp -81.17 -173.21 4.19 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.504 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.0 tm-20 -62.4 137.75 58.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.095 0.474 . . . . 0.0 111.141 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 77.51 6.7 86.88 Favored Glycine 0 CA--C 1.521 0.453 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 179.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' A' ' 4' ' ' LYS . 61.9 mt-10 -101.13 150.69 22.67 Favored 'General case' 0 C--N 1.333 -0.13 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.517 -179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.86 136.89 24.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.868 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.439 ' O ' ' CB ' ' A' ' 10' ' ' SER . 31.8 p -142.77 164.84 29.02 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.443 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.623 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 76.96 -34.04 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.695 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -67.54 28.78 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.133 0.492 . . . . 0.0 110.435 179.572 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.623 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 106.87 6.91 34.27 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -125.49 150.17 47.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.755 0.312 . . . . 0.0 110.443 179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 55.5 mtmt -104.53 131.76 51.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.225 0.536 . . . . 0.0 110.247 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 4.7 t -68.84 151.11 47.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.882 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 96.9 m -60.16 -24.45 64.76 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.431 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -152.72 84.61 1.23 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.775 179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.5 mt -65.83 -20.6 66.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.803 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -74.15 -37.39 64.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.666 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -98.2 -26.33 14.59 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.753 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -113.13 156.55 22.99 Favored 'General case' 0 C--N 1.329 -0.313 0 O-C-N 123.448 0.468 . . . . 0.0 110.5 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.442 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.5 p90 -134.58 162.65 31.69 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.23 -179.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 99.9 m -104.5 106.73 55.52 Favored Pre-proline 0 CA--C 1.536 0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.548 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 61.0 Cg_exo -52.48 150.46 20.9 Favored 'Trans proline' 0 N--CA 1.499 1.851 0 C-N-CA 122.843 2.362 . . . . 0.0 112.767 179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.429 ' N ' ' OE1' ' A' ' 26' ' ' GLU . 62.3 ttp -90.2 70.8 7.24 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.322 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.457 ' OE1' ' N ' ' A' ' 26' ' ' GLU . 56.4 mp0 -138.61 -177.45 4.87 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.496 -179.655 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.636 ' CD2' HG23 ' A' ' 28' ' ' ILE . 85.3 t80 -58.92 -46.56 87.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.531 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.636 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.4 pt -127.58 79.81 72.85 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.51 151.77 59.64 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 123.064 2.51 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.529 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 60.7 m80 -136.18 139.97 43.25 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.586 178.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.0 m -57.97 118.65 5.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.435 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.442 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 22.3 tptp -132.43 128.53 37.71 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -67.25 134.7 52.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.404 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -145.6 -173.11 4.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.578 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.407 ' HD3' ' H ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -97.93 110.13 54.35 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.863 -179.562 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.36 -0.17 10.1 Favored 'Trans proline' 0 N--CA 1.492 1.426 0 C-N-CA 122.279 1.986 . . . . 0.0 112.419 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.5 m-85 64.33 166.95 0.16 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.2 -179.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.634 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.3 m -129.29 68.25 79.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.341 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -71.88 152.65 58.11 Favored 'Trans proline' 0 C--N 1.31 -1.481 0 C-N-CA 122.617 2.211 . . . . 0.0 112.303 -179.811 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.4 m -66.51 -17.48 22.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.433 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 66.0 p -75.75 162.55 28.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.445 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.455 -179.923 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.417 ' OD1' ' N ' ' A' ' 1' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.414 -0.587 . . . . 0.0 109.414 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.3 p -154.53 165.82 35.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.644 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.567 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -84.07 131.07 34.83 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -94.59 170.71 9.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.505 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -51.17 127.16 18.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.788 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 79.97 3.17 89.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 50.3 tt0 -92.23 150.64 20.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.779 0.323 . . . . 0.0 110.449 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.6 t -58.39 134.13 23.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.531 ' C ' ' H ' ' A' ' 11' ' ' TRP . 29.8 p -138.98 167.51 21.88 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.224 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.485 ' C ' ' H ' ' A' ' 12' ' ' GLY . 1.6 m 71.87 -29.82 0.2 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.749 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.531 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -69.73 40.89 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.352 0.596 . . . . 0.0 110.337 179.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.485 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 96.32 5.28 59.31 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.567 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -131.5 149.6 52.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.774 0.321 . . . . 0.0 110.606 179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.5 pttt -103.97 142.75 33.88 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.909 0.385 . . . . 0.0 110.465 179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.567 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 4.8 t -72.05 127.22 31.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.077 -179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -40.13 -36.31 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.758 -179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -132.19 100.03 4.9 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 28.5 mt -89.3 -5.65 57.39 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.821 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.54 ' OD1' ' ND2' ' A' ' 20' ' ' ASN . 57.2 p-10 -92.45 0.13 57.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.735 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.54 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 74.9 m-80 -137.06 -22.21 1.19 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.803 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -118.31 157.44 27.07 Favored 'General case' 0 C--N 1.33 -0.242 0 O-C-N 123.485 0.491 . . . . 0.0 110.398 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.432 ' CE2' ' HB3' ' A' ' 32' ' ' LYS . 34.6 p90 -134.26 161.43 34.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.186 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.481 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 94.6 m -104.33 109.16 62.21 Favored Pre-proline 0 N--CA 1.449 -0.523 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.706 -179.606 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -51.47 146.2 26.34 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 C-N-CA 122.77 2.313 . . . . 0.0 112.141 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 78.8 mtm -78.47 67.15 4.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.669 -179.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -137.16 173.88 11.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.395 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.488 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -70.83 -10.84 60.38 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.655 179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.527 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 13.0 pt -143.51 68.89 17.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.274 0.559 . . . . 0.0 110.643 179.004 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_exo -61.36 139.91 85.24 Favored 'Trans proline' 0 C--N 1.302 -1.91 0 C-N-CA 122.707 2.271 . . . . 0.0 112.156 -179.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 74.0 m80 -125.48 133.5 52.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.905 0.383 . . . . 0.0 110.429 179.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.8 m -52.15 115.99 1.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.51 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.432 ' HB3' ' CE2' ' A' ' 22' ' ' TYR . 55.3 tptt -126.58 126.0 42.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.579 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmm -66.85 135.11 53.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.128 179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 2.2 p90 -152.14 -179.67 7.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.546 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.537 ' O ' ' CE1' ' A' ' 37' ' ' TYR . 0.0 OUTLIER -112.96 105.99 55.41 Favored Pre-proline 0 N--CA 1.45 -0.459 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.661 -178.443 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -74.99 153.85 42.11 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.798 2.332 . . . . 0.0 112.167 -179.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 35' ' ' LYS . 90.0 m-85 -132.97 170.37 15.45 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.443 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.593 ' O ' HG13 ' A' ' 38' ' ' VAL . 7.6 p -133.22 73.83 73.69 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.623 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -60.14 148.29 90.09 Favored 'Trans proline' 0 C--N 1.305 -1.739 0 C-N-CA 122.942 2.428 . . . . 0.0 111.966 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 65.1 t -109.74 122.62 64.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.541 -179.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 14.6 t -157.61 161.17 38.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.525 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 42' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.04 -0.981 . . . . 0.0 110.599 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.1 t0 . . . . . 0 N--CA 1.489 1.524 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 3.5 p -159.35 167.11 29.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.021 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 15' ' ' CYS . . . -75.53 106.3 7.01 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 59.2 mtpt -70.8 -179.31 2.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.307 179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -56.86 128.22 35.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.051 0.453 . . . . 0.0 110.734 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 89.08 -6.66 83.44 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.448 ' HB2' ' HB1' ' A' ' 3' ' ' ALA . 11.2 mm-40 -84.5 151.11 24.81 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.921 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.1 t -72.35 133.58 31.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.981 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.452 ' C ' ' H ' ' A' ' 11' ' ' TRP . 0.1 OUTLIER -135.42 171.97 13.68 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.536 179.953 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 12' ' ' GLY . 0.3 OUTLIER 75.11 -33.84 0.25 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.773 -179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.452 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.1 OUTLIER -70.24 21.31 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.295 179.531 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.557 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 118.51 -0.04 15.93 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.793 -0.923 . . . . 0.0 110.793 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -128.49 148.66 50.75 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.921 0.391 . . . . 0.0 110.462 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -106.63 134.82 49.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.214 0.531 . . . . 0.0 110.22 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 3' ' ' ALA . 4.9 t -64.01 155.66 30.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.973 -179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 92.0 m -60.34 -40.27 90.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.444 -179.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -132.69 84.17 2.12 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.618 179.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 50.6 mt -67.62 -15.65 63.76 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.667 179.689 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -77.61 -32.36 53.46 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.84 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -108.17 -12.04 15.16 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.817 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -125.16 158.23 34.46 Favored 'General case' 0 N--CA 1.463 0.224 0 O-C-N 123.368 0.417 . . . . 0.0 110.719 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.3 p90 -139.69 164.62 29.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.004 -179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.25 109.42 58.62 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.063 179.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.403 ' HD2' ' H ' ' A' ' 30' ' ' HIS . 68.3 Cg_exo -52.56 147.55 30.01 Favored 'Trans proline' 0 N--CA 1.497 1.695 0 C-N-CA 122.879 2.386 . . . . 0.0 112.589 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 tpt -85.17 67.91 10.34 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.643 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -134.81 -179.08 5.39 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.318 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.548 ' CD2' HG23 ' A' ' 28' ' ' ILE . 83.9 t80 -59.55 -44.78 93.15 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.457 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.548 HG23 ' CD2' ' A' ' 27' ' ' PHE . 6.1 pt -126.08 79.41 69.45 Favored Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.952 -179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -58.98 149.43 79.47 Favored 'Trans proline' 0 N--CA 1.494 1.557 0 C-N-CA 122.93 2.42 . . . . 0.0 112.333 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.497 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 61.2 m80 -137.71 137.09 37.98 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.378 177.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 38.2 m -43.31 119.28 1.54 Allowed 'General case' 0 CA--C 1.521 -0.145 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -135.93 136.5 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.939 -179.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -69.85 135.23 49.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.098 179.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -49.43 -93.7 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.965 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.674 ' O ' HG13 ' A' ' 38' ' ' VAL . 40.8 mtpt -125.75 80.27 67.0 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.998 -179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.41 ' C ' ' CG ' ' A' ' 37' ' ' TYR . 68.8 Cg_endo -77.42 141.01 19.76 Favored 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 122.303 2.002 . . . . 0.0 112.565 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.618 ' N ' ' CD2' ' A' ' 37' ' ' TYR . 0.2 OUTLIER 62.94 49.23 3.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.485 179.181 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.674 HG13 ' O ' ' A' ' 35' ' ' LYS . 14.7 m -68.5 151.66 97.1 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.008 -179.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 75.7 Cg_exo -49.46 140.21 28.09 Favored 'Trans proline' 0 N--CA 1.496 1.641 0 C-N-CA 121.995 1.797 . . . . 0.0 112.232 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 42.3 t 47.78 86.29 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.661 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.7 t -58.24 145.59 36.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.688 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.0 p . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.557 179.964 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 1' ' ' ASP . 55.8 p-10 . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 28.0 p -156.31 165.47 36.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.475 ' HB1' ' HB2' ' A' ' 7' ' ' GLU . . . -98.25 132.94 43.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.675 179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.495 ' H ' ' HG3' ' A' ' 7' ' ' GLU . 68.1 mttm -94.55 -167.38 1.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.565 -179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -62.0 127.03 29.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.07 0.462 . . . . 0.0 110.965 -179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 86.87 -6.7 82.51 Favored Glycine 0 CA--C 1.528 0.846 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.413 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.495 ' HG3' ' H ' ' A' ' 4' ' ' LYS . 78.2 mm-40 -86.75 146.7 26.16 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.771 0.319 . . . . 0.0 110.629 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.8 t -61.11 141.3 17.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.42 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.611 ' C ' ' H ' ' A' ' 11' ' ' TRP . 26.3 p -136.27 165.5 25.62 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.261 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.448 ' OG ' ' SG ' ' A' ' 23' ' ' CYS . 58.8 m 63.35 -28.9 0.09 Allowed 'General case' 0 N--CA 1.469 0.486 0 O-C-N 123.626 0.579 . . . . 0.0 111.1 -178.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.611 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -74.93 46.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.751 0.786 . . . . 0.0 109.693 179.549 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.417 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.08 -0.23 72.11 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -127.04 145.81 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 110.56 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -109.34 138.54 45.53 Favored 'General case' 0 CA--C 1.512 -0.502 0 CA-C-O 121.454 0.645 . . . . 0.0 110.109 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 1.3 m -66.64 146.54 54.37 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 114.869 -1.059 . . . . 0.0 110.801 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -68.62 -60.64 2.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.905 -179.29 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -96.58 68.18 2.46 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.47 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.1 mt -62.14 -16.89 55.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.605 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -74.74 -39.07 62.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -106.16 -7.39 17.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.827 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' CE2' ' CG ' ' A' ' 33' ' ' LYS . 22.4 m-85 -127.98 154.18 45.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.662 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -131.54 168.54 17.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.313 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.448 ' SG ' ' OG ' ' A' ' 10' ' ' SER . 12.2 t -103.42 107.28 55.4 Favored Pre-proline 0 CA--C 1.537 0.472 0 N-CA-C 109.546 -0.539 . . . . 0.0 109.546 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_exo -58.16 -172.19 0.05 OUTLIER 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.05 1.834 . . . . 0.0 112.991 -178.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 64.7 ttp -140.82 94.52 2.73 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.55 179.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.429 ' C ' ' H ' ' A' ' 28' ' ' ILE . 76.9 tt0 -163.42 57.05 0.18 Allowed 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.467 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.1 t80 67.92 -44.72 0.49 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.269 179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.55 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 9.3 pt -134.56 73.3 68.26 Favored Pre-proline 0 C--N 1.331 -0.239 0 CA-C-O 120.934 0.397 . . . . 0.0 110.931 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -59.54 144.4 99.43 Favored 'Trans proline' 0 C--N 1.304 -1.777 0 C-N-CA 122.8 2.333 . . . . 0.0 112.488 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.55 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 72.8 m80 -131.13 134.72 46.82 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 177.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.31 126.07 2.68 Favored 'General case' 0 C--O 1.236 0.379 0 N-CA-C 109.676 -0.491 . . . . 0.0 109.676 -179.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -138.68 142.45 38.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.357 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.465 ' O ' ' O ' ' A' ' 34' ' ' TYR . 37.6 mtpt -72.97 140.75 47.6 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.732 178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.465 ' O ' ' O ' ' A' ' 33' ' ' LYS . 93.7 m-85 -54.98 -117.86 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.948 179.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.02 58.82 13.78 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.796 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -71.71 146.42 48.59 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 122.669 2.246 . . . . 0.0 111.965 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.6 m-85 -112.88 -1.58 14.55 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.729 -179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.602 ' O ' HG23 ' A' ' 38' ' ' VAL . 32.9 m -130.73 64.26 72.81 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.578 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.34 151.53 48.52 Favored 'Trans proline' 0 C--N 1.307 -1.615 0 C-N-CA 122.601 2.2 . . . . 0.0 112.181 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.864 HG22 ' H ' ' A' ' 42' ' ' THR . 8.2 p -142.0 139.86 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.692 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 69.2 p -95.7 -5.67 41.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.572 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.864 ' H ' HG22 ' A' ' 40' ' ' VAL . 1.0 OUTLIER . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.494 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 7.5 p -157.59 163.57 38.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.98 179.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.587 ' HB1' ' HB3' ' A' ' 7' ' ' GLU . . . -75.35 125.42 28.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.42 179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -86.43 177.85 7.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.199 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -54.8 132.0 45.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.985 0.421 . . . . 0.0 111.132 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.1 1.09 90.25 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.587 ' HB3' ' HB1' ' A' ' 3' ' ' ALA . 3.2 tm-20 -94.4 146.43 24.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.994 0.426 . . . . 0.0 110.046 -179.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.519 ' N ' ' OE1' ' A' ' 7' ' ' GLU . 53.3 t -54.91 139.64 13.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.716 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.621 ' C ' ' H ' ' A' ' 11' ' ' TRP . 23.8 p -137.21 168.22 20.04 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 109.77 -0.456 . . . . 0.0 109.77 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.435 ' C ' ' H ' ' A' ' 12' ' ' GLY . 74.0 m 63.03 -25.89 0.06 Allowed 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.47 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.621 ' H ' ' C ' ' A' ' 9' ' ' CYS . 0.0 OUTLIER -76.25 40.8 0.22 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 121.443 0.64 . . . . 0.0 110.111 179.491 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 10' ' ' SER . . . 92.69 10.07 60.63 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -134.82 134.1 40.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.927 0.394 . . . . 0.0 110.523 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -92.58 136.47 33.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.244 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.0 t -71.02 150.43 45.62 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.465 -179.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 93.0 m -60.45 -40.59 91.7 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.611 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 92.0 m-20 -131.15 82.39 2.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.754 179.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.5 mt -65.27 -21.7 66.76 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.697 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -75.06 -35.48 61.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 76.8 m-20 -103.44 -7.52 20.88 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.93 -179.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 30.2 m-85 -131.49 154.97 48.2 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.027 0.441 . . . . 0.0 110.88 179.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -133.23 179.44 6.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.794 -179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 55.5 m -109.19 99.67 37.16 Favored Pre-proline 0 CA--C 1.538 0.492 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -54.6 142.98 70.55 Favored 'Trans proline' 0 N--CA 1.497 1.693 0 C-N-CA 123.144 2.562 . . . . 0.0 112.033 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.3 mmt -90.66 80.21 5.98 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.517 ' C ' ' H ' ' A' ' 28' ' ' ILE . 98.8 mt-10 -141.51 40.9 1.73 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 8.9 t80 70.29 -37.16 0.37 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.897 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.523 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 7.1 pt -131.22 77.04 75.22 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.224 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo -60.03 139.37 87.37 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.623 2.215 . . . . 0.0 112.546 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 75.7 m80 -128.32 130.89 48.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.073 178.019 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.406 ' C ' ' O ' ' A' ' 30' ' ' HIS . 32.5 m -38.47 98.6 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.149 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 30' ' ' HIS . 49.1 tptt -111.97 131.09 55.61 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.765 -179.321 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -76.1 143.71 41.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.627 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.544 ' O ' ' C ' ' A' ' 35' ' ' LYS . 94.4 m-85 -63.01 140.13 58.84 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.984 179.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.544 ' C ' ' O ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -7.37 77.76 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.471 0 O-C-N 124.409 1.068 . . . . 0.0 111.608 -179.357 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.507 ' N ' ' O ' ' A' ' 34' ' ' TYR . 60.2 Cg_endo -73.83 146.35 37.75 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 122.037 1.825 . . . . 0.0 112.1 -178.18 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -114.73 3.71 14.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.596 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.6 t 42.44 57.4 10.84 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.454 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -70.14 149.75 64.92 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 122.62 2.213 . . . . 0.0 112.279 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 7.9 p -63.8 -30.49 50.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.556 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 72.2 p -77.54 163.34 26.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.667 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.219 -0.5 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.567 -179.908 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.452 ' O ' ' SG ' ' A' ' 2' ' ' CYS . 1.2 p-10 . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.356 -0.609 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . 0.452 ' SG ' ' O ' ' A' ' 1' ' ' ASP . 0.5 OUTLIER 52.51 174.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.706 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.54 128.55 56.06 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.31 179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -90.12 167.74 12.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.438 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -46.88 129.51 11.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.013 0.435 . . . . 0.0 110.712 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 80.88 3.56 90.52 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.24 -0.744 . . . . 0.0 111.24 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -97.73 145.42 26.36 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.4 t -55.58 132.61 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.688 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.1 p -130.64 -156.93 0.79 Allowed 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.78 0.324 . . . . 0.0 110.357 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 8.2 t 63.98 -123.6 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -55.52 -33.04 63.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.467 -179.107 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -62.4 -42.93 99.68 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 32.4 tttt 179.27 -156.76 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.19 -0.3 . . . . 0.0 110.19 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -114.08 134.13 55.08 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.071 0.462 . . . . 0.0 109.969 179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 7.9 t -70.38 132.1 45.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.371 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.42 ' O ' ' OD1' ' A' ' 17' ' ' ASP . 0.3 OUTLIER -41.19 -36.85 0.81 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.942 -179.748 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 16' ' ' CYS . 95.1 m-20 -138.59 88.3 2.29 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' O ' ' O ' ' A' ' 21' ' ' PHE . 37.7 mt -69.01 -22.93 64.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.567 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -74.36 -36.28 63.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.877 -179.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -97.52 -14.1 21.29 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' O ' ' O ' ' A' ' 18' ' ' LEU . 56.0 m-85 -131.13 159.19 38.38 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.71 179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -134.23 167.21 21.1 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.867 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 65.4 m -102.22 107.98 55.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.453 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -50.14 145.29 20.46 Favored 'Trans proline' 0 N--CA 1.498 1.785 0 C-N-CA 122.706 2.271 . . . . 0.0 112.64 179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -73.25 70.77 1.17 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.515 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -141.89 170.45 15.7 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.037 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CD2' ' N ' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -68.77 -15.44 63.51 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.419 179.62 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.537 ' O ' ' CE1' ' A' ' 30' ' ' HIS . 15.4 pt -140.23 70.33 33.91 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.408 179.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -60.93 141.49 94.72 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 C-N-CA 122.772 2.314 . . . . 0.0 112.151 -179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.537 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 78.9 m80 -124.35 134.99 52.99 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 123.432 0.458 . . . . 0.0 109.969 178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 43.3 m -44.26 118.82 1.62 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 109.851 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 tptm -136.5 132.34 35.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 30.8 ttmt -65.29 142.13 58.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.631 -179.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -59.96 -43.23 95.17 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.075 -179.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.538 ' O ' ' CD2' ' A' ' 37' ' ' TYR . 22.8 mtpp -132.45 77.58 69.72 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_exo -57.22 140.62 93.4 Favored 'Trans proline' 0 C--N 1.303 -1.857 0 C-N-CA 122.401 2.067 . . . . 0.0 111.844 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.538 ' CD2' ' O ' ' A' ' 35' ' ' LYS . 0.1 OUTLIER -156.08 170.3 22.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.634 -179.827 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 38' ' ' VAL . 7.5 p -137.72 70.03 51.69 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.835 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.6 -38.39 95.61 Favored 'Trans proline' 0 N--CA 1.496 1.669 0 C-N-CA 122.798 2.332 . . . . 0.0 112.272 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.849 HG22 ' H ' ' A' ' 42' ' ' THR . 9.9 p -149.89 144.1 17.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.651 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 77.9 p -69.38 -25.96 64.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.565 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.849 ' H ' HG22 ' A' ' 40' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.005 -0.997 . . . . 0.0 110.576 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' CYS . . . . . . . . . . . . . 31.1 p -154.72 168.55 26.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.719 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -91.39 131.48 36.84 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.688 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' CB ' ' A' ' 7' ' ' GLU . 26.8 mtpp -96.95 169.63 9.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.745 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -46.83 128.11 10.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.064 0.459 . . . . 0.0 110.85 -179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . 82.33 3.87 90.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.413 ' CB ' ' O ' ' A' ' 4' ' ' LYS . 41.2 tp10 -96.69 144.41 26.73 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 121.009 -0.277 . . . . 0.0 110.385 -179.414 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 91.4 t -56.61 133.39 20.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.708 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 p -129.01 -154.52 0.64 Allowed 'General case' 0 C--O 1.231 0.124 0 C-N-CA 120.819 -0.352 . . . . 0.0 110.235 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 m 64.25 -126.62 0.45 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.596 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' CG ' ' N ' ' A' ' 12' ' ' GLY . 49.1 p-90 -57.26 -33.06 67.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.325 -179.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.404 ' N ' ' CG ' ' A' ' 11' ' ' TRP . . . -62.33 -40.97 99.72 Favored Glycine 0 CA--C 1.519 0.342 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 175.94 -171.59 0.07 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.67 0.271 . . . . 0.0 110.562 -179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -105.48 133.74 49.74 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.022 0.439 . . . . 0.0 110.136 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 6.1 t -69.06 129.11 38.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.991 -179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -41.29 -37.19 0.92 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.804 -179.513 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -134.01 88.03 2.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.781 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 35.1 mt -70.83 -21.27 62.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.027 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -76.15 -34.86 59.41 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.951 -179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -98.56 -12.87 20.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.811 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -132.9 156.36 47.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.758 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 41.7 p90 -132.61 170.19 15.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.431 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 68.5 m -103.56 108.07 58.17 Favored Pre-proline 0 CA--C 1.538 0.497 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.928 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -53.13 146.1 40.01 Favored 'Trans proline' 0 N--CA 1.496 1.624 0 C-N-CA 122.696 2.264 . . . . 0.0 112.249 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 97.7 mtp -77.28 72.23 3.81 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.679 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -139.22 177.16 8.11 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.294 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.623 ' CD2' HG23 ' A' ' 28' ' ' ILE . 87.4 t80 -58.54 -45.34 89.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.694 -0.684 . . . . 0.0 110.212 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.623 HG23 ' CD2' ' A' ' 27' ' ' PHE . 5.5 pt -126.43 79.89 70.11 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.273 179.57 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.22 141.26 88.29 Favored 'Trans proline' 0 C--N 1.307 -1.646 0 C-N-CA 122.946 2.43 . . . . 0.0 112.135 -179.068 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.528 ' CE1' ' O ' ' A' ' 28' ' ' ILE . 76.7 m80 -123.6 134.89 53.73 Favored 'General case' 0 N--CA 1.464 0.24 0 O-C-N 123.633 0.583 . . . . 0.0 110.607 179.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 50.8 m -43.7 115.97 0.89 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.107 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -130.23 131.83 45.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.817 -179.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' O ' ' O ' ' A' ' 34' ' ' TYR . 32.4 ttmt -67.4 138.17 56.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.462 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.416 ' O ' ' O ' ' A' ' 33' ' ' LYS . 94.3 m-85 -55.51 -166.67 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.459 179.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.457 ' HD3' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -136.72 60.57 31.28 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-O 120.888 0.375 . . . . 0.0 110.652 -179.011 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -71.6 146.66 49.74 Favored 'Trans proline' 0 C--N 1.302 -1.873 0 C-N-CA 122.618 2.212 . . . . 0.0 112.047 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -114.53 3.49 14.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.594 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.561 ' O ' HG23 ' A' ' 38' ' ' VAL . 33.7 m -131.02 62.16 63.92 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.444 179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -70.69 -19.25 31.93 Favored 'Trans proline' 0 C--N 1.307 -1.606 0 C-N-CA 122.736 2.291 . . . . 0.0 112.464 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 8.7 p -62.85 -30.68 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.691 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 38' ' ' VAL . 5.1 t -62.75 -28.07 69.72 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.581 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.218 -0.557 0 CA-C-O 118.05 -0.976 . . . . 0.0 110.578 -179.964 . . . . . . . . 1 1 . 1 stop_ save_