data_5fzx_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 5fzx _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 ' 7' ' ' CYS . . . . . . . . . . . . . 26.2 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.795 0.331 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.567 HG11 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -87.61 131.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -83.25 171.26 13.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.473 ' HB2' HD23 ' A' ' 28' ' ' LEU . 32.7 ttt180 -61.18 136.13 57.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.366 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.11 -9.33 70.08 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.857 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.15 161.96 13.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.039 0.447 . . . . 0.0 110.758 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.648 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 33.9 t80 -78.21 139.9 38.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.906 -175.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -126.17 143.69 51.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.118 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 161.68 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.847 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 p -42.03 128.97 2.64 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-O 121.847 0.832 . . . . 0.0 112.727 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 39.4 Cg_endo -66.41 -43.59 7.87 Favored 'Trans proline' 0 CA--C 1.519 -0.236 0 C-N-CA 123.534 2.823 . . . . 0.0 113.696 -168.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.25 -6.48 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -168.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.1 -30.97 6.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.498 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -129.16 -29.23 2.28 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.77 -36.42 0.14 Allowed Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.666 -0.697 . . . . 0.0 114.792 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.59 141.03 35.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.3 0.55 . . . . 0.0 110.441 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.8 -42.34 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.738 0.649 . . . . 0.0 111.291 174.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 58.2 m -78.54 145.0 35.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.006 0.431 . . . . 0.0 111.123 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m -66.6 150.19 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.15 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.19 -127.39 40.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.244 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -105.54 19.5 20.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.295 0.569 . . . . 0.0 110.215 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.473 HD23 ' HB2' ' A' ' 10' ' ' ARG . 2.5 mp -71.82 156.45 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -131.66 146.97 52.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 174.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 30.9 m -75.63 91.39 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 109.798 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.73 127.71 75.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.867 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t 58.07 35.45 25.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.857 0.837 . . . . 0.0 108.939 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.94 27.15 16.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.568 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 m -136.08 142.26 44.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.333 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.567 ' SG ' HG11 ' A' ' 8' ' ' VAL . 74.6 m -87.05 127.05 35.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 0.0 111.173 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 117.799 -1.096 . . . . 0.0 108.864 177.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -86.43 138.29 19.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -89.28 171.58 9.67 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -57.91 136.9 57.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.93 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.52 83.36 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.766 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -91.36 158.1 16.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.65 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 70.1 t80 -66.86 134.37 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.435 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.4 t -126.46 121.6 32.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.217 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 155.98 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 p -39.71 121.99 1.47 Allowed Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 123.758 0.661 . . . . 0.0 112.376 -172.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 48.4 Cg_endo -68.16 -41.07 7.7 Favored 'Trans proline' 0 C--N 1.34 0.102 0 C-N-CA 123.419 2.746 . . . . 0.0 114.748 -165.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -56.96 -33.48 67.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -164.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.4 m -75.8 -18.86 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -125.98 -30.6 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.129 -0.629 . . . . 0.0 112.387 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 -35.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.916 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.49 140.63 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.896 0.848 . . . . 0.0 110.464 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 170.0 -47.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.508 1.13 . . . . 0.0 109.944 171.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 m -71.61 134.44 46.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.218 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -81.3 166.8 20.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.84 -132.9 49.53 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.691 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -109.46 20.42 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 0.0 109.513 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.65 148.53 38.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.018 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -111.44 142.06 44.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.363 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.49 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 53.0 t -86.93 97.48 10.71 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -134.51 133.28 54.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.697 -174.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 m 58.34 35.08 24.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.365 0.603 . . . . 0.0 110.622 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 m120 64.37 25.92 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.804 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 p -140.74 141.71 34.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.694 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 79.0 m -89.51 127.98 35.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.114 179.728 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.525 HG11 ' SG ' ' A' ' 35' ' ' CYS . 9.9 p -87.24 137.01 21.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.291 0.567 . . . . 0.0 110.457 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -86.38 171.49 11.13 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -57.75 137.69 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.845 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.29 -19.44 53.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.526 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -88.97 161.13 16.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.5 . . . . 0.0 110.963 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -73.11 144.41 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.582 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.2 t -129.34 127.87 41.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.015 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.28 159.24 29.61 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -40.37 118.18 1.43 Allowed Pre-proline 0 N--CA 1.468 0.457 0 CA-C-O 121.998 0.904 . . . . 0.0 112.601 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.88 -23.1 41.6 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.195 2.597 . . . . 0.0 112.667 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.47 -29.87 66.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.913 -173.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -93.96 -18.56 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 18.5 p80 -126.64 -30.07 2.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.505 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.22 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -101.64 139.97 36.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.547 0.674 . . . . 0.0 109.892 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.409 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.81 -48.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.599 0.562 . . . . 0.0 110.388 177.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 m -78.62 150.72 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 85.9 m -71.81 141.35 49.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.83 -136.22 41.12 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.423 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -92.84 18.88 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 0.0 110.557 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 5.3 mp -68.76 149.73 48.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.63 145.36 51.89 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.817 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.18 90.43 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.228 0.537 . . . . 0.0 110.008 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.65 124.75 67.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.081 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t 60.05 34.78 21.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.708 0.766 . . . . 0.0 109.001 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m120 59.05 29.66 19.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.377 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.8 m -137.54 138.64 39.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.925 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.525 ' SG ' HG11 ' A' ' 8' ' ' VAL . 71.1 m -81.06 133.29 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.795 0.331 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 36' ' ' ARG . 1.4 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.733 -1.127 . . . . 0.0 109.421 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 22.6 p . . . . . 0 N--CA 1.45 -0.454 0 CA-C-O 120.802 0.334 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.32 144.5 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.793 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -85.85 167.33 15.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.797 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -58.12 137.1 57.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.694 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.54 1.06 60.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.006 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -104.63 154.68 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.94 0.4 . . . . 0.0 110.543 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.669 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.0 t80 -73.88 136.59 43.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.354 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.516 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 28.5 p -123.27 139.84 53.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.033 0.444 . . . . 0.0 110.229 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 157.67 37.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.534 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 p -41.44 118.65 1.81 Allowed Pre-proline 0 N--CA 1.464 0.226 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -172.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -67.99 -26.09 37.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.845 2.363 . . . . 0.0 112.628 -173.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -62.5 -28.71 70.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -93.0 -21.06 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -173.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.411 ' C ' ' H ' ' A' ' 22' ' ' ASP . 6.7 p80 -125.6 -27.81 3.36 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.583 -0.698 . . . . 0.0 112.225 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.94 -34.56 0.24 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 20' ' ' HIS . 28.7 t70 -99.89 137.86 37.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.125 0.462 . . . . 0.0 110.356 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 -49.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.842 0.714 . . . . 0.0 109.994 176.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.8 m -77.47 138.17 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.134 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.411 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -81.5 150.31 28.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.68 -138.87 34.14 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.142 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 t -96.61 19.26 12.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.373 0.606 . . . . 0.0 110.109 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.87 152.16 45.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.918 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -131.27 145.54 51.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.69 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.4 m -77.1 100.51 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.87 123.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.549 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m 58.92 33.73 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.328 -174.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 m120 62.06 32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.456 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -137.03 136.46 38.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.021 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.516 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 81.6 m -83.74 130.87 34.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.52 175.648 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.528 HG11 ' SG ' ' A' ' 35' ' ' CYS . 2.8 p -86.33 129.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.371 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 p -82.31 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.461 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -61.61 134.12 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.57 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.44 -19.36 54.72 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.683 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -89.86 161.36 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.315 0.579 . . . . 0.0 111.295 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -76.52 136.68 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.556 -174.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 t -116.5 134.74 54.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.822 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.06 168.77 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.28 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -38.93 118.58 1.11 Allowed Pre-proline 0 N--CA 1.467 0.379 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 42.9 Cg_endo -67.05 -42.47 8.01 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.263 2.642 . . . . 0.0 113.527 -168.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.72 -31.64 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.23 -24.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -125.83 -31.32 2.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.409 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.5 -36.39 0.06 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 115.39 0.916 . . . . 0.0 115.39 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -100.56 139.28 36.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 109.928 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.2 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.531 0.519 . . . . 0.0 111.081 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 35.8 m -77.99 147.81 34.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.757 0.313 . . . . 0.0 110.759 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.0 m -69.0 133.38 48.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.861 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.05 -133.0 43.13 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.744 -0.662 . . . . 0.0 114.354 171.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -82.95 8.36 12.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.999 0.428 . . . . 0.0 110.804 -174.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.55 146.57 48.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.209 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HZ2' ' HB3' ' A' ' 29' ' ' LYS . 8.7 mtpm? -132.33 143.56 49.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.815 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 61.8 m -70.99 93.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 110.517 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' CZ ' ' A' ' 36' ' ' ARG . 7.6 p -121.69 128.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.648 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 57.81 32.47 21.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.754 0.788 . . . . 0.0 109.13 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m120 59.1 27.84 16.93 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.274 -177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -131.85 141.66 49.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.528 ' SG ' HG11 ' A' ' 8' ' ' VAL . 75.1 m -89.34 129.49 35.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.67 0.271 . . . . 0.0 111.11 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.456 ' CZ ' HG12 ' A' ' 31' ' ' VAL . 3.8 ppt_? . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.357 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 13.9 p . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.26 133.81 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.362 0.601 . . . . 0.0 110.411 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 p -85.28 168.01 15.1 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.81 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 41.0 ttm180 -60.74 128.75 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.557 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.91 -19.1 50.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.133 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -85.7 161.28 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.036 0.418 . . . . 0.0 110.825 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.17 139.3 58.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.87 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 t -124.03 123.88 41.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.241 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 150.41 46.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 p -40.88 116.61 1.39 Allowed Pre-proline 0 N--CA 1.462 0.17 0 O-C-N 123.771 0.669 . . . . 0.0 111.93 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.4 -41.72 11.47 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.189 2.593 . . . . 0.0 114.483 -164.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.64 -27.74 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -165.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 p -80.01 -22.54 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -125.08 -29.68 3.29 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.771 -0.581 . . . . 0.0 112.017 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.15 -34.81 0.11 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.08 136.02 40.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.799 0.8 . . . . 0.0 110.6 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.89 -50.24 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.863 0.727 . . . . 0.0 111.107 174.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.2 m -68.24 133.08 48.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 110.899 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.415 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 2.6 t -79.93 162.07 25.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.091 -178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.37 -135.11 50.06 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.944 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -102.57 20.46 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.967 0.413 . . . . 0.0 110.483 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.12 162.56 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.181 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -131.8 145.41 51.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.461 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.11 110.17 17.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -128.54 125.83 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.111 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 t 52.94 41.87 32.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 110.762 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m120 64.2 25.71 13.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.816 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 p -140.84 136.4 32.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.714 0.292 . . . . 0.0 110.242 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 73.3 m -85.3 135.5 33.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.741 0.305 . . . . 0.0 110.404 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.781 -178.735 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.471 HG11 ' SG ' ' A' ' 35' ' ' CYS . 5.9 p -86.19 126.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.477 0.656 . . . . 0.0 110.293 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 p -81.35 168.75 18.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.414 -173.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 3.2 tmm_? -56.69 126.93 28.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.047 -177.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' HD2' ' A' ' 10' ' ' ARG . . . 96.74 -15.56 62.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.633 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -86.17 159.57 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.489 0.644 . . . . 0.0 111.439 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.631 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 71.9 t80 -63.69 135.53 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.766 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.0 128.25 43.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.145 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.94 139.97 33.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 p -52.82 110.82 2.16 Favored Pre-proline 0 CA--C 1.528 0.105 0 CA-C-O 121.454 0.645 . . . . 0.0 112.591 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.44 -14.21 27.88 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 124.013 3.142 . . . . 0.0 113.288 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -50.31 -25.79 4.14 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -164.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.1 -28.84 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.932 -0.48 . . . . 0.0 111.329 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.589 ' HE1' ' CD1' ' A' ' 23' ' ' TRP . 2.5 p80 -127.47 -27.46 2.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.99 -29.81 11.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 121.578 -0.344 . . . . 0.0 113.513 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.42 148.77 22.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.816 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.589 ' CD1' ' HE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 167.46 -47.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.407 1.067 . . . . 0.0 111.023 173.353 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.4 m -78.1 140.43 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -64.69 142.46 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.53 -129.08 39.29 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.39 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -103.53 19.62 19.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.308 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.64 157.06 30.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -128.63 145.89 51.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.11 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 t -86.63 107.23 18.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.4 t -124.54 128.01 73.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.04 35.61 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.384 0.611 . . . . 0.0 110.426 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.3 m120 64.31 29.6 13.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.458 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -141.55 136.65 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.471 ' SG ' HG11 ' A' ' 8' ' ' VAL . 72.1 m -84.2 134.16 34.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.867 0.365 . . . . 0.0 110.959 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.501 ' HA ' ' HG2' ' A' ' 10' ' ' ARG . 13.5 ptm180 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.896 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.854 0.359 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 p -78.65 128.68 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 121.447 0.641 . . . . 0.0 109.678 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 p -89.46 171.78 9.47 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.845 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.483 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.9 ttp180 -53.62 132.74 41.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.037 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.37 69.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.432 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -93.86 161.49 14.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.039 0.419 . . . . 0.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.01 133.24 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.304 -172.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.01 118.06 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.727 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 160.89 31.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.3 p -39.46 112.91 0.8 Allowed Pre-proline 0 N--CA 1.468 0.448 0 CA-C-O 121.415 0.626 . . . . 0.0 112.231 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.13 -41.54 12.8 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.156 2.571 . . . . 0.0 113.859 -165.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.32 -29.88 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 16' ' ' THR . 35.2 m -80.59 -16.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' ASP . 14.4 p80 -126.1 -30.16 2.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.55 -32.38 0.13 Allowed Glycine 0 CA--C 1.532 1.153 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' HIS . 11.9 m-20 -97.54 172.25 7.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.308 177.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 44.6 m0 123.67 -49.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.969 1.707 . . . . 0.0 110.835 170.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.0 m -75.1 133.39 41.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.285 0.564 . . . . 0.0 111.159 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.34 152.45 38.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.56 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.43 -130.36 40.69 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.42 -0.809 . . . . 0.0 113.631 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -111.06 20.19 17.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.146 0.498 . . . . 0.0 109.817 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 35' ' ' CYS . 4.6 mp -54.1 143.52 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.025 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -110.67 128.39 55.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.681 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.13 106.98 16.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.176 0.512 . . . . 0.0 110.553 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -134.95 132.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.208 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 t 55.92 39.42 30.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.416 0.627 . . . . 0.0 110.32 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m120 61.65 26.82 16.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.782 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -140.09 136.25 33.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.188 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.438 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.5 m -96.05 141.14 29.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.592 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.596 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.953 0.406 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -85.42 142.06 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.37 0.605 . . . . 0.0 111.235 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 p -88.3 171.64 10.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.832 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -61.81 137.54 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.494 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.65 -19.03 55.19 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.209 174.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -87.61 152.14 22.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.999 0.428 . . . . 0.0 110.439 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.653 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 62.2 t80 -69.33 133.28 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.829 -175.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -112.38 134.53 53.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.022 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.83 151.75 46.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.537 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 p -44.8 123.47 4.86 Favored Pre-proline 0 N--CA 1.461 0.112 0 O-C-N 123.568 0.542 . . . . 0.0 111.903 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.96 -39.41 14.11 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 123.257 2.638 . . . . 0.0 114.528 -164.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.52 -23.09 64.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -165.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.5 m -84.1 -21.79 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.0 p80 -125.98 -30.0 3.02 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.2 -37.12 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.383 0.913 . . . . 0.0 115.383 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -101.44 139.52 36.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.364 0.582 . . . . 0.0 110.021 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.42 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.82 -47.93 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.091 175.297 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -78.3 141.55 38.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.066 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.44 146.51 26.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.71 -142.65 32.55 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.416 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -80.76 3.64 21.67 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.09 144.92 55.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.65 139.6 53.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.306 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.4 t -78.64 99.82 6.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.252 0.549 . . . . 0.0 109.645 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.19 133.4 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.444 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m 58.84 33.01 22.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 63.02 24.53 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.961 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 p -139.28 141.08 37.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.535 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -90.98 128.61 36.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.751 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.451 -178.865 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.562 HG11 ' SG ' ' A' ' 24' ' ' CYS . 5.2 p -82.94 126.09 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.412 0.625 . . . . 0.0 110.433 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -81.37 171.67 14.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.482 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.24 130.63 47.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.639 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.95 -20.15 50.5 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.105 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -86.06 162.31 18.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.869 0.366 . . . . 0.0 111.173 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.58 119.95 9.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.897 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.29 130.82 52.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.91 157.25 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -43.83 118.56 2.93 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 121.762 0.792 . . . . 0.0 112.593 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.49 -37.54 12.88 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.449 2.766 . . . . 0.0 113.85 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.64 -29.45 70.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -169.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -89.33 0.29 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.472 ' C ' ' H ' ' A' ' 22' ' ' ASP . 41.9 m80 -126.22 -30.91 2.86 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.749 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.37 -35.26 0.12 Allowed Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.639 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 20' ' ' HIS . 30.8 t70 -101.84 128.99 47.96 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.483 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 1.3 p-90 -158.88 -94.96 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.562 ' SG ' HG11 ' A' ' 8' ' ' VAL . 86.6 m -81.61 153.89 26.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.608 . . . . 0.0 112.323 -173.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m -67.57 134.69 51.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.11 -132.41 48.77 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.415 -0.812 . . . . 0.0 114.136 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 m -96.56 19.33 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 111.61 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.6 144.35 37.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 51.1 mttp -114.46 140.89 48.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.86 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 t -93.33 109.52 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -173.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.47 128.87 52.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.47 34.35 24.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.375 0.607 . . . . 0.0 110.19 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.09 28.52 18.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.359 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 p -138.11 133.02 32.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.859 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.4 m -91.1 149.84 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.039 0.447 . . . . 0.0 112.067 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 36' ' ' ARG . 5.2 ptp180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.157 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.645 HG11 ' SG ' ' A' ' 24' ' ' CYS . 2.6 p -85.07 130.26 36.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.29 0.567 . . . . 0.0 111.071 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.5 p -89.95 172.21 9.02 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.829 -175.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.484 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.7 ttt180 -58.8 132.91 55.31 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.141 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.36 -8.66 75.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 113.123 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -97.58 161.18 13.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.837 0.351 . . . . 0.0 110.672 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.17 124.88 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.169 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.2 t -102.88 120.56 40.83 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.055 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.36 141.86 33.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.4 p -41.06 117.41 1.53 Allowed Pre-proline 0 N--CA 1.463 0.183 0 O-C-N 124.029 0.831 . . . . 0.0 112.482 -172.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 51.8 Cg_exo -55.32 -33.34 84.79 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 123.539 2.826 . . . . 0.0 113.136 -173.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.81 -24.22 63.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 16' ' ' THR . 32.9 m -82.54 -23.87 8.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.481 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.96 -28.13 3.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.75 -32.39 1.03 Allowed Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.441 -0.409 . . . . 0.0 113.288 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.91 121.99 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.519 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -151.58 -95.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.006 -0.434 . . . . 0.0 111.841 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.645 ' SG ' HG11 ' A' ' 8' ' ' VAL . 72.9 m -82.63 149.88 27.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.047 0.451 . . . . 0.0 112.095 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.08 160.45 14.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.342 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.8 -145.31 36.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.492 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -97.12 19.37 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.47 145.66 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.754 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 59.9 mtpt -120.18 136.74 54.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -80.21 97.26 6.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.5 t -116.41 117.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.067 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 t 58.1 38.92 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.47 0.652 . . . . 0.0 110.204 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 61.79 26.85 16.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.462 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -137.55 131.0 31.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.3 m -92.28 141.99 27.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.42 0.629 . . . . 0.0 112.472 -176.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 11.3 ptp180 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.606 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 24.4 p . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.079 0.466 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 p -86.52 147.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.097 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -82.75 171.0 14.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.068 0.461 . . . . 0.0 112.151 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 61.7 ttp180 -61.46 137.69 58.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.677 -176.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.04 -17.58 53.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.737 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -88.57 161.71 16.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.414 0.625 . . . . 0.0 112.082 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.624 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 69.8 t80 -75.94 142.23 42.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.966 -174.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' HE1' ' A' ' 20' ' ' HIS . 42.8 t -132.55 121.2 22.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.757 174.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 168.5 10.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.545 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -39.99 115.84 1.14 Allowed Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.75 -30.29 41.52 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.014 2.476 . . . . 0.0 113.077 -171.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -52.34 -28.34 18.96 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.32 -23.32 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.44 ' HE1' ' SG ' ' A' ' 14' ' ' CYS . 12.0 p80 -126.6 -31.43 2.72 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.12 -36.34 0.06 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -100.35 144.91 28.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.592 0.696 . . . . 0.0 110.306 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.752 0.657 . . . . 0.0 110.257 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.1 m -77.0 141.96 40.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.732 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.526 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -85.69 156.96 20.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.733 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.6 -141.49 38.73 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.663 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -94.89 17.72 13.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.19 0.519 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.408 HD22 ' HB2' ' A' ' 10' ' ' ARG . 4.5 mp -69.88 151.64 45.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.591 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.42 140.46 52.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 95.8 m -72.5 91.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.33 133.52 63.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.786 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t 58.86 32.4 22.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.503 0.668 . . . . 0.0 109.806 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.1 m120 60.5 26.18 15.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.257 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 p -140.44 147.17 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.51 127.95 36.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.437 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.7 ptm180 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.112 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -85.85 141.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -84.82 171.41 12.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.253 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.418 ' N ' HD22 ' A' ' 28' ' ' LEU . 44.7 ttp180 -62.56 135.4 57.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.823 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.53 -19.35 52.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.963 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.16 161.49 18.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.16 0.505 . . . . 0.0 111.145 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.24 146.6 54.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.43 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 t -136.44 137.73 40.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.951 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.25 157.37 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.3 p -44.13 118.84 3.2 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.458 0.647 . . . . 0.0 112.145 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 32.3 Cg_exo -56.18 -34.65 93.81 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.665 2.91 . . . . 0.0 113.386 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -55.88 -33.29 64.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 16' ' ' THR . 35.4 m -84.15 -23.17 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 16.6 p80 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.31 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.519 0.968 . . . . 0.0 115.519 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.45 138.19 39.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.856 0.828 . . . . 0.0 110.138 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.517 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 177.88 -52.05 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.58 0.55 . . . . 0.0 111.03 175.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 55.3 m -72.97 130.13 39.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.61 155.2 28.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -176.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.0 -141.16 39.23 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.905 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 m -93.88 19.28 9.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.173 0.511 . . . . 0.0 110.72 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 10' ' ' ARG . 4.6 mp -72.14 156.53 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.199 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.514 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.497 ' SG ' ' HG3' ' A' ' 17' ' ' PRO . 48.8 t -78.05 102.65 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.125 0.488 . . . . 0.0 110.271 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.8 t -128.05 128.29 68.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.382 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m 55.94 39.41 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.09 0.471 . . . . 0.0 111.356 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m120 66.62 23.0 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.667 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 p -140.8 140.98 34.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.2 m -88.48 129.04 35.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.34 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.102 -177.221 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.848 0.356 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.403 HG11 ' SG ' ' A' ' 35' ' ' CYS . 13.8 p -85.55 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -90.22 165.48 13.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.382 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 40.1 ttm180 -61.87 129.13 39.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.985 -177.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.0 48.12 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.275 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -89.76 159.92 16.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.224 0.535 . . . . 0.0 111.376 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.646 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 57.8 t80 -75.77 134.67 40.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.067 -176.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.5 t -123.5 139.74 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.097 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 163.62 27.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 p -40.66 117.33 1.42 Allowed Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -175.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 25.9 Cg_exo -61.61 -40.77 44.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.46 2.773 . . . . 0.0 113.229 -172.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -66.37 -10.76 46.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.77 -29.53 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.9 p80 -127.66 -29.9 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -175.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.79 -36.14 0.1 Allowed Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.968 -0.56 . . . . 0.0 114.453 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 20' ' ' HIS . 6.0 m-20 -100.58 139.39 36.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.278 0.539 . . . . 0.0 109.849 172.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.91 -40.59 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.628 0.58 . . . . 0.0 111.322 175.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.406 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 10.9 m -78.22 148.79 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 0.0 112.122 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 62.5 m -72.99 130.83 41.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.259 176.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.23 -124.99 38.31 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.067 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.7 t -90.95 6.55 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.132 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.599 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 6.3 mp -69.85 154.61 41.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 175.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -137.85 140.39 40.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.811 0.339 . . . . 0.0 110.534 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.07 112.99 11.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.006 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.34 132.7 38.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.72 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t 58.08 35.19 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.458 0.647 . . . . 0.0 110.026 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.3 m120 63.91 19.32 11.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.919 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.6 p -130.34 145.18 51.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.175 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.599 ' SG ' ' HB3' ' A' ' 28' ' ' LEU . 32.0 t -94.65 139.79 30.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.065 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.544 HG11 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.5 128.82 38.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p -84.09 169.24 15.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -169.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.04 129.81 43.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.326 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.08 -12.92 68.41 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.936 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -90.31 161.59 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 111.247 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 57.3 t80 -70.93 137.96 49.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.678 -174.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -125.5 139.04 53.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.863 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.8 166.15 24.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.048 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.7 p -40.77 119.76 1.67 Allowed Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 121.534 0.683 . . . . 0.0 112.349 -173.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.85 -41.1 31.68 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 123.548 2.832 . . . . 0.0 113.741 -166.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.21 -32.33 73.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -169.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 16' ' ' THR . 35.8 m -76.09 -18.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -126.95 -32.02 2.58 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.284 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 -36.8 0.06 OUTLIER Glycine 0 CA--C 1.533 1.193 0 N-CA-C 115.499 0.96 . . . . 0.0 115.499 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -101.72 145.48 29.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.875 0.837 . . . . 0.0 110.039 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 173.62 -52.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.77 0.669 . . . . 0.0 110.417 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 4.8 m -78.62 147.19 33.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 167.73 11.69 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.626 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.16 -138.81 37.17 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.098 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -100.64 18.63 18.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -66.61 150.88 48.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.382 0.61 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -124.98 136.66 53.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.977 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 87.3 m -73.94 93.62 2.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 109.898 172.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.78 129.95 72.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t 56.81 33.71 23.5 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.005 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 28.3 m120 65.17 27.78 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.745 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.1 p -139.62 139.46 36.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.716 0.293 . . . . 0.0 110.705 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.544 ' SG ' HG11 ' A' ' 8' ' ' VAL . 88.3 m -79.54 119.68 22.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.92 178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.135 178.298 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 24' ' ' CYS . 11.3 p -68.21 133.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.648 0.737 . . . . 0.0 111.404 -170.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -84.55 171.92 12.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.212 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 19.9 ttt180 -65.06 137.25 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.635 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.28 -19.29 54.58 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.72 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -88.21 160.93 17.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.322 0.582 . . . . 0.0 111.496 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.648 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 55.4 t80 -72.49 139.81 47.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.379 -175.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 t -118.25 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.921 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 164.09 13.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -40.92 112.65 0.94 Allowed Pre-proline 0 N--CA 1.465 0.297 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.257 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 35.9 Cg_exo -59.1 -38.0 89.41 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.591 2.861 . . . . 0.0 113.53 -170.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.14 -22.18 66.89 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.4 t -79.78 -29.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.3 p80 -127.35 -30.68 2.6 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.3 -37.16 0.06 OUTLIER Glycine 0 CA--C 1.529 0.914 0 CA-C-N 115.454 -0.793 . . . . 0.0 114.975 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -102.02 138.71 38.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.492 0.646 . . . . 0.0 110.223 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.466 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -177.87 -55.46 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.403 0.439 . . . . 0.0 110.723 176.671 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.7 m -71.04 141.56 50.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.297 -177.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.91 161.59 18.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.24 -142.29 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.99 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.1 m -94.52 19.8 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.192 0.52 . . . . 0.0 110.732 -178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mp -73.56 161.02 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.21 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -144.92 147.98 33.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.448 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.6 m -77.13 91.33 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.189 0.519 . . . . 0.0 110.742 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -106.68 120.8 58.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.395 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t 59.21 35.88 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.415 0.626 . . . . 0.0 109.386 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m120 60.23 30.98 20.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.416 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -137.39 134.46 35.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.407 ' SG ' HG11 ' A' ' 8' ' ' VAL . 69.4 m -78.78 121.73 25.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.307 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 6.6 ptp180 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.586 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.538 HG11 ' SG ' ' A' ' 35' ' ' CYS . 3.2 p -86.45 131.23 35.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.386 0.612 . . . . 0.0 110.882 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -83.7 171.53 13.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.316 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.517 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 14.8 ttt180 -66.34 135.23 54.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.027 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -9.35 75.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.684 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -94.14 161.04 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.666 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 44.1 t80 -73.83 135.37 43.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.727 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.47 142.4 50.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.07 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 p -42.77 123.72 3.02 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.47 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.69 -45.07 3.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 123.395 2.73 . . . . 0.0 114.428 -164.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.24 -29.87 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -166.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.84 -23.42 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -126.13 -30.87 2.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.279 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.58 -37.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.39 143.31 32.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.729 0.764 . . . . 0.0 110.33 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.8 -48.16 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.533 0.521 . . . . 0.0 111.044 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.4 m -78.15 144.51 36.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.5 m -63.29 137.19 58.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.073 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.25 -124.33 34.79 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.218 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -98.89 19.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.44 146.53 42.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.262 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -114.74 136.34 53.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.38 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.7 m -75.96 99.39 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 170.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.02 133.42 26.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.384 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t 59.8 32.94 21.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.877 -177.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 25.1 m120 62.56 26.15 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.665 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 p -140.65 144.39 35.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.69 0.281 . . . . 0.0 110.949 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.538 ' SG ' HG11 ' A' ' 8' ' ' VAL . 83.3 m -86.41 128.2 34.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.636 176.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.517 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.5 ptm180 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.072 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.21 135.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.408 0.623 . . . . 0.0 110.746 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -86.86 172.18 10.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.881 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 41.4 ttp180 -59.81 137.9 57.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.123 -176.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.53 -19.13 46.08 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.68 161.59 16.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.161 0.505 . . . . 0.0 111.0 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.622 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 63.3 t80 -63.4 124.72 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.51 -176.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.85 125.4 50.25 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.28 24.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 t -42.29 121.79 2.6 Favored Pre-proline 0 C--O 1.239 0.507 0 CA-C-O 121.957 0.884 . . . . 0.0 112.203 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 47.5 Cg_exo -55.86 -34.05 90.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.981 3.121 . . . . 0.0 113.41 -176.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.14 -24.81 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.895 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.86 -22.74 6.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -124.11 -30.34 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.286 -170.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.48 -36.67 0.1 OUTLIER Glycine 0 CA--C 1.528 0.849 0 CA-C-N 115.881 -0.6 . . . . 0.0 113.818 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.31 123.05 46.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 167.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.581 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -144.82 -83.78 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.716 -178.777 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.581 ' SG ' ' HE3' ' A' ' 23' ' ' TRP . 92.0 m -81.49 155.43 25.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.3 m -82.06 159.7 23.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.255 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.35 -138.8 49.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.495 -0.775 . . . . 0.0 114.054 171.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -100.87 19.85 16.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 110.36 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.42 145.14 52.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.484 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -119.65 141.29 49.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.766 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.89 100.32 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 -175.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.57 126.76 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m 56.67 32.62 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.185 0.517 . . . . 0.0 110.495 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 19.7 m120 58.82 32.36 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.38 -176.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -140.27 135.77 32.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.237 171.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.27 146.92 24.3 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.438 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 15.5 ptm180 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.907 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.504 HG11 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.65 126.74 40.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.402 0.62 . . . . 0.0 110.468 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -86.31 171.57 11.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.298 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -55.47 131.88 47.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.772 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.2 -19.33 54.68 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.203 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -85.65 159.08 19.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 0.0 110.884 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 40.4 t80 -67.77 143.74 55.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.809 -176.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -133.11 140.93 47.9 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.918 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 161.26 28.1 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -45.52 118.59 4.09 Favored Pre-proline 0 CA--C 1.532 0.281 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -177.063 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 67.9 Cg_exo -49.8 -49.18 16.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.803 3.002 . . . . 0.0 113.94 -167.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.54 -8.42 51.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.781 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.3 t -85.45 -25.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.434 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' A' ' 23' ' ' TRP . 13.2 p80 -127.36 -32.49 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -175.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.38 -38.36 0.05 OUTLIER Glycine 0 CA--C 1.532 1.1 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -104.47 145.56 30.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.468 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.434 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 169.7 -44.84 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.244 0.618 . . . . 0.0 110.83 176.35 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 m -78.02 141.14 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.251 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.0 m -64.82 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.498 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.73 -128.32 34.85 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.88 172.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -97.01 13.74 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 110.402 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -128.91 143.95 51.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 t -79.66 107.12 12.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.033 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.84 130.05 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.888 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t 57.4 37.94 28.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.284 0.564 . . . . 0.0 110.289 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m120 59.41 28.91 18.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.469 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -141.77 146.21 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.3 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.504 ' SG ' HG11 ' A' ' 8' ' ' VAL . 73.0 m -91.47 135.97 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.117 -178.841 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 31.1 p . . . . . 0 N--CA 1.445 -0.689 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.695 ' HB ' ' SG ' ' A' ' 24' ' ' CYS . 98.4 t -66.2 133.98 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.708 -176.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -93.66 171.23 9.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.808 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.64 130.44 44.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.817 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.29 -18.77 56.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.374 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -87.21 153.66 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.345 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 33' ' ' ASN . 57.6 t80 -70.45 136.72 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.377 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -128.43 137.32 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.174 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.52 156.32 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 t -40.94 125.47 1.99 Allowed Pre-proline 0 N--CA 1.467 0.406 0 CA-C-O 121.922 0.868 . . . . 0.0 112.361 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 36.6 Cg_endo -66.6 -29.61 43.64 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.434 2.756 . . . . 0.0 113.053 -171.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.44 -21.54 66.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.8 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.6 -29.17 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . 0.4 ' C ' ' H ' ' A' ' 22' ' ' ASP . 12.2 p80 -126.52 -31.34 2.75 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.215 -176.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.55 -37.01 0.05 OUTLIER Glycine 0 CA--C 1.529 0.934 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 20' ' ' HIS . 26.2 t70 -101.26 136.64 40.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 117.285 0.543 . . . . 0.0 110.258 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.598 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 177.08 -56.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.826 0.704 . . . . 0.0 110.455 176.403 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.695 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 84.0 m -79.56 148.68 31.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.26 0.552 . . . . 0.0 112.179 -175.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 157.89 28.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.94 -141.05 47.19 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.363 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -98.28 18.16 17.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.431 . . . . 0.0 110.632 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.22 146.95 49.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.518 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -125.59 131.22 52.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.044 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 17' ' ' PRO . 57.5 m -73.85 94.09 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.253 0.549 . . . . 0.0 110.03 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -123.48 131.22 73.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.758 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t 59.56 32.66 21.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.483 0.658 . . . . 0.0 109.658 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 20.4 m120 63.75 21.65 12.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.778 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -136.94 141.46 42.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.014 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.26 140.49 30.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.238 0.542 . . . . 0.0 111.923 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.78 179.521 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.672 0.272 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -132.62 174.87 9.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t -127.76 74.35 78.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 121.366 0.603 . . . . 0.0 110.516 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.97 97.41 0.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.562 2.175 . . . . 0.0 112.062 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 57.58 75.78 0.36 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.695 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.48 150.17 36.49 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.313 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.2 p -118.25 151.75 37.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.349 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.567 HG11 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -87.61 131.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -83.25 171.26 13.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' HB2' HD23 ' A' ' 28' ' ' LEU . 32.7 ttt180 -61.18 136.13 57.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.366 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.11 -9.33 70.08 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.857 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.15 161.96 13.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.039 0.447 . . . . 0.0 110.758 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.648 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 33.9 t80 -78.21 139.9 38.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.906 -175.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -126.17 143.69 51.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.118 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 161.68 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.847 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 p -42.03 128.97 2.64 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-O 121.847 0.832 . . . . 0.0 112.727 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 39.4 Cg_endo -66.41 -43.59 7.87 Favored 'Trans proline' 0 CA--C 1.519 -0.236 0 C-N-CA 123.534 2.823 . . . . 0.0 113.696 -168.014 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.25 -6.48 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -168.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.1 -30.97 6.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.498 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -129.16 -29.23 2.28 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.77 -36.42 0.14 Allowed Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.666 -0.697 . . . . 0.0 114.792 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.59 141.03 35.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.3 0.55 . . . . 0.0 110.441 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.8 -42.34 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.738 0.649 . . . . 0.0 111.291 174.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 58.2 m -78.54 145.0 35.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.006 0.431 . . . . 0.0 111.123 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m -66.6 150.19 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.15 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.19 -127.39 40.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.244 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -105.54 19.5 20.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.295 0.569 . . . . 0.0 110.215 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.473 HD23 ' HB2' ' A' ' 10' ' ' ARG . 2.5 mp -71.82 156.45 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -131.66 146.97 52.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 174.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 30.9 m -75.63 91.39 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 109.798 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.73 127.71 75.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.867 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t 58.07 35.45 25.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.857 0.837 . . . . 0.0 108.939 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.94 27.15 16.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.568 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 m -136.08 142.26 44.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.333 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.567 ' SG ' HG11 ' A' ' 8' ' ' VAL . 74.6 m -87.05 127.05 35.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 0.0 111.173 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 117.799 -1.096 . . . . 0.0 108.864 177.975 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.015 0.436 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -102.78 -67.49 0.88 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.162 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 m 52.03 68.45 3.17 Favored Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.084 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -85.96 118.56 1.75 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.221 1.947 . . . . 0.0 112.374 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -108.13 69.47 0.73 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -81.56 69.82 8.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.716 0.769 . . . . 0.0 109.648 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -151.23 142.24 23.05 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.929 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -86.43 138.29 19.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -89.28 171.58 9.67 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -57.91 136.9 57.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.93 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.52 83.36 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.766 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -91.36 158.1 16.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.65 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 70.1 t80 -66.86 134.37 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.435 -175.091 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.4 t -126.46 121.6 32.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.217 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 155.98 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 p -39.71 121.99 1.47 Allowed Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 123.758 0.661 . . . . 0.0 112.376 -172.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.49 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 48.4 Cg_endo -68.16 -41.07 7.7 Favored 'Trans proline' 0 C--N 1.34 0.102 0 C-N-CA 123.419 2.746 . . . . 0.0 114.748 -165.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -56.96 -33.48 67.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -164.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.4 m -75.8 -18.86 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -125.98 -30.6 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.129 -0.629 . . . . 0.0 112.387 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 -35.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.916 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.49 140.63 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.896 0.848 . . . . 0.0 110.464 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 170.0 -47.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.508 1.13 . . . . 0.0 109.944 171.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 m -71.61 134.44 46.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.218 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -81.3 166.8 20.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.84 -132.9 49.53 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.691 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -109.46 20.42 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 0.0 109.513 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.65 148.53 38.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.018 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -111.44 142.06 44.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.363 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.49 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 53.0 t -86.93 97.48 10.71 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -134.51 133.28 54.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.697 -174.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 m 58.34 35.08 24.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.365 0.603 . . . . 0.0 110.622 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 m120 64.37 25.92 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.804 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 p -140.74 141.71 34.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.694 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 79.0 m -89.51 127.98 35.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.114 179.728 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.893 0.378 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 60.45 -176.84 0.11 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.873 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -157.4 138.19 9.31 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.58 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -76.42 75.43 4.33 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.504 2.136 . . . . 0.0 113.067 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -73.74 109.09 6.97 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 70.89 -64.57 0.37 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.997 -172.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -150.04 146.7 27.12 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.525 HG11 ' SG ' ' A' ' 35' ' ' CYS . 9.9 p -87.24 137.01 21.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.291 0.567 . . . . 0.0 110.457 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -86.38 171.49 11.13 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -57.75 137.69 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.845 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.29 -19.44 53.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.526 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -88.97 161.13 16.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.5 . . . . 0.0 110.963 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -73.11 144.41 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.582 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.2 t -129.34 127.87 41.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.015 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.28 159.24 29.61 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -40.37 118.18 1.43 Allowed Pre-proline 0 N--CA 1.468 0.457 0 CA-C-O 121.998 0.904 . . . . 0.0 112.601 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.88 -23.1 41.6 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.195 2.597 . . . . 0.0 112.667 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.47 -29.87 66.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.913 -173.052 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -93.96 -18.56 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.409 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 18.5 p80 -126.64 -30.07 2.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.505 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.22 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -101.64 139.97 36.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.547 0.674 . . . . 0.0 109.892 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.409 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.81 -48.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.599 0.562 . . . . 0.0 110.388 177.692 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 m -78.62 150.72 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 85.9 m -71.81 141.35 49.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.83 -136.22 41.12 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.423 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -92.84 18.88 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 0.0 110.557 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 5.3 mp -68.76 149.73 48.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.63 145.36 51.89 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.817 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.18 90.43 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.228 0.537 . . . . 0.0 110.008 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.65 124.75 67.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.081 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t 60.05 34.78 21.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.708 0.766 . . . . 0.0 109.001 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m120 59.05 29.66 19.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.377 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.8 m -137.54 138.64 39.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.925 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.525 ' SG ' HG11 ' A' ' 8' ' ' VAL . 71.1 m -81.06 133.29 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.795 0.331 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 36' ' ' ARG . 1.4 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.733 -1.127 . . . . 0.0 109.421 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.809 0.338 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -64.35 -31.34 72.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -177.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 t -135.31 91.53 18.87 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 121.279 0.561 . . . . 0.0 110.567 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.8 50.68 3.45 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.23 1.953 . . . . 0.0 111.242 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -77.51 12.04 1.77 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.464 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.26 53.68 2.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.547 0.689 . . . . 0.0 110.129 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.411 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 22.6 p -74.84 137.99 42.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.494 -176.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.32 144.5 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.793 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -85.85 167.33 15.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.797 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -58.12 137.1 57.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.694 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.54 1.06 60.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.006 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -104.63 154.68 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.94 0.4 . . . . 0.0 110.543 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.669 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 53.0 t80 -73.88 136.59 43.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.354 -179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.516 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 28.5 p -123.27 139.84 53.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.033 0.444 . . . . 0.0 110.229 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 157.67 37.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.534 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 p -41.44 118.65 1.81 Allowed Pre-proline 0 N--CA 1.464 0.226 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -172.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -67.99 -26.09 37.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.845 2.363 . . . . 0.0 112.628 -173.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -62.5 -28.71 70.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -93.0 -21.06 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -173.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.411 ' C ' ' H ' ' A' ' 22' ' ' ASP . 6.7 p80 -125.6 -27.81 3.36 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.583 -0.698 . . . . 0.0 112.225 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.94 -34.56 0.24 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' H ' ' C ' ' A' ' 20' ' ' HIS . 28.7 t70 -99.89 137.86 37.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.125 0.462 . . . . 0.0 110.356 176.089 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 -49.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.842 0.714 . . . . 0.0 109.994 176.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.8 m -77.47 138.17 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.134 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.411 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -81.5 150.31 28.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.68 -138.87 34.14 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.142 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 t -96.61 19.26 12.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.373 0.606 . . . . 0.0 110.109 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.87 152.16 45.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.918 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -131.27 145.54 51.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.69 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.4 m -77.1 100.51 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.87 123.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.549 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m 58.92 33.73 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.328 -174.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 m120 62.06 32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.456 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -137.03 136.46 38.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.021 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.516 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 81.6 m -83.74 130.87 34.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.52 175.648 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.714 0.292 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -150.95 -46.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.391 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.8 p -129.24 81.47 70.32 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 111.403 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -87.34 61.58 3.86 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.497 2.131 . . . . 0.0 111.511 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -84.88 47.4 1.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.156 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 59.25 43.08 17.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.8 p -82.87 151.22 26.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.24 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.528 HG11 ' SG ' ' A' ' 35' ' ' CYS . 2.8 p -86.33 129.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.371 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 p -82.31 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.461 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 58.6 ttp180 -61.61 134.12 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.57 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.44 -19.36 54.72 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.683 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -89.86 161.36 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.315 0.579 . . . . 0.0 111.295 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -76.52 136.68 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.556 -174.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 t -116.5 134.74 54.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.822 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.06 168.77 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.28 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -38.93 118.58 1.11 Allowed Pre-proline 0 N--CA 1.467 0.379 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.431 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 42.9 Cg_endo -67.05 -42.47 8.01 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.263 2.642 . . . . 0.0 113.527 -168.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.72 -31.64 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.23 -24.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -125.83 -31.32 2.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.409 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.5 -36.39 0.06 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 115.39 0.916 . . . . 0.0 115.39 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -100.56 139.28 36.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 109.928 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.2 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.531 0.519 . . . . 0.0 111.081 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 35.8 m -77.99 147.81 34.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.757 0.313 . . . . 0.0 110.759 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.0 m -69.0 133.38 48.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.861 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.05 -133.0 43.13 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.744 -0.662 . . . . 0.0 114.354 171.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -82.95 8.36 12.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.999 0.428 . . . . 0.0 110.804 -174.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -71.55 146.57 48.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.209 177.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.432 ' HZ2' ' HB3' ' A' ' 29' ' ' LYS . 8.7 mtpm? -132.33 143.56 49.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.815 177.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 61.8 m -70.99 93.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 110.517 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.456 HG12 ' CZ ' ' A' ' 36' ' ' ARG . 7.6 p -121.69 128.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.648 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 57.81 32.47 21.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.754 0.788 . . . . 0.0 109.13 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m120 59.1 27.84 16.93 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.274 -177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -131.85 141.66 49.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.528 ' SG ' HG11 ' A' ' 8' ' ' VAL . 75.1 m -89.34 129.49 35.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.67 0.271 . . . . 0.0 111.11 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.456 ' CZ ' HG12 ' A' ' 31' ' ' VAL . 3.8 ppt_? . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.357 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.446 0.641 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -98.6 -53.81 3.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.623 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 t -164.97 74.73 1.46 Allowed Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.626 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.66 120.01 7.03 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.009 1.806 . . . . 0.0 112.462 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -82.45 -176.85 6.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.826 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -68.14 130.41 42.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.239 0.543 . . . . 0.0 110.331 -178.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.415 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 13.9 p -78.42 134.13 37.41 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.17 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.26 133.81 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.362 0.601 . . . . 0.0 110.411 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 p -85.28 168.01 15.1 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.81 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.431 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 41.0 ttm180 -60.74 128.75 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.557 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.91 -19.1 50.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.133 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -85.7 161.28 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.036 0.418 . . . . 0.0 110.825 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.17 139.3 58.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.87 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 t -124.03 123.88 41.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.241 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 150.41 46.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 p -40.88 116.61 1.39 Allowed Pre-proline 0 N--CA 1.462 0.17 0 O-C-N 123.771 0.669 . . . . 0.0 111.93 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.4 -41.72 11.47 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.189 2.593 . . . . 0.0 114.483 -164.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.64 -27.74 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -165.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 p -80.01 -22.54 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -125.08 -29.68 3.29 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.771 -0.581 . . . . 0.0 112.017 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.15 -34.81 0.11 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.08 136.02 40.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.799 0.8 . . . . 0.0 110.6 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.89 -50.24 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.863 0.727 . . . . 0.0 111.107 174.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.2 m -68.24 133.08 48.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 110.899 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.415 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 2.6 t -79.93 162.07 25.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.091 -178.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.37 -135.11 50.06 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.944 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -102.57 20.46 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.967 0.413 . . . . 0.0 110.483 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.12 162.56 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.181 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -131.8 145.41 51.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.461 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.11 110.17 17.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -128.54 125.83 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.111 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 t 52.94 41.87 32.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 110.762 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m120 64.2 25.71 13.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.816 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 p -140.84 136.4 32.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.714 0.292 . . . . 0.0 110.242 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 73.3 m -85.3 135.5 33.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.741 0.305 . . . . 0.0 110.404 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.781 -178.735 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.934 0.397 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -90.92 -16.12 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.022 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.6 m 61.48 74.28 0.52 Allowed Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.301 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.48 86.64 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.497 2.131 . . . . 0.0 111.589 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -81.47 3.89 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.66 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -103.03 113.13 26.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.033 0.444 . . . . 0.0 110.129 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 p -137.46 155.91 48.76 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.664 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.471 HG11 ' SG ' ' A' ' 35' ' ' CYS . 5.9 p -86.19 126.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.477 0.656 . . . . 0.0 110.293 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 p -81.35 168.75 18.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.414 -173.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 3.2 tmm_? -56.69 126.93 28.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.047 -177.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.48 ' N ' ' HD2' ' A' ' 10' ' ' ARG . . . 96.74 -15.56 62.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.633 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -86.17 159.57 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.489 0.644 . . . . 0.0 111.439 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.631 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 71.9 t80 -63.69 135.53 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.766 -178.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.0 128.25 43.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.145 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.94 139.97 33.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 p -52.82 110.82 2.16 Favored Pre-proline 0 CA--C 1.528 0.105 0 CA-C-O 121.454 0.645 . . . . 0.0 112.591 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.44 -14.21 27.88 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 124.013 3.142 . . . . 0.0 113.288 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -50.31 -25.79 4.14 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -164.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.1 -28.84 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.932 -0.48 . . . . 0.0 111.329 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.589 ' HE1' ' CD1' ' A' ' 23' ' ' TRP . 2.5 p80 -127.47 -27.46 2.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.99 -29.81 11.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 121.578 -0.344 . . . . 0.0 113.513 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.42 148.77 22.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.816 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.589 ' CD1' ' HE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 167.46 -47.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.407 1.067 . . . . 0.0 111.023 173.353 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.4 m -78.1 140.43 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -64.69 142.46 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.53 -129.08 39.29 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.39 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -103.53 19.62 19.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.308 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.64 157.06 30.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -128.63 145.89 51.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.11 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 t -86.63 107.23 18.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.4 t -124.54 128.01 73.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.04 35.61 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.384 0.611 . . . . 0.0 110.426 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.3 m120 64.31 29.6 13.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.458 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -141.55 136.65 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.471 ' SG ' HG11 ' A' ' 8' ' ' VAL . 72.1 m -84.2 134.16 34.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.867 0.365 . . . . 0.0 110.959 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.501 ' HA ' ' HG2' ' A' ' 10' ' ' ARG . 13.5 ptm180 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.896 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 121.093 0.473 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -158.48 157.82 32.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.584 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 t -140.38 78.91 21.72 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.247 0.546 . . . . 0.0 110.514 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.39 145.81 92.87 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.621 2.214 . . . . 0.0 111.847 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.46 169.51 17.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.871 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 69.75 123.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.032 0.833 . . . . 0.0 110.654 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -69.23 138.59 54.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.302 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 p -78.65 128.68 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 121.447 0.641 . . . . 0.0 109.678 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 p -89.46 171.78 9.47 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.845 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.483 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.9 ttp180 -53.62 132.74 41.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.037 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.37 69.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.432 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -93.86 161.49 14.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.039 0.419 . . . . 0.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.01 133.24 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.304 -172.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.01 118.06 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.727 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 160.89 31.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 19' ' ' VAL . 6.3 p -39.46 112.91 0.8 Allowed Pre-proline 0 N--CA 1.468 0.448 0 CA-C-O 121.415 0.626 . . . . 0.0 112.231 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.13 -41.54 12.8 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.156 2.571 . . . . 0.0 113.859 -165.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.32 -29.88 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 16' ' ' THR . 35.2 m -80.59 -16.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.422 ' C ' ' H ' ' A' ' 22' ' ' ASP . 14.4 p80 -126.1 -30.16 2.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.55 -32.38 0.13 Allowed Glycine 0 CA--C 1.532 1.153 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.422 ' H ' ' C ' ' A' ' 20' ' ' HIS . 11.9 m-20 -97.54 172.25 7.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.308 177.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.407 ' HB2' ' O ' ' A' ' 22' ' ' ASP . 44.6 m0 123.67 -49.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.969 1.707 . . . . 0.0 110.835 170.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.0 m -75.1 133.39 41.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.285 0.564 . . . . 0.0 111.159 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.34 152.45 38.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.56 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.43 -130.36 40.69 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.42 -0.809 . . . . 0.0 113.631 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -111.06 20.19 17.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.146 0.498 . . . . 0.0 109.817 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.438 HD21 ' HB3' ' A' ' 35' ' ' CYS . 4.6 mp -54.1 143.52 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.025 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -110.67 128.39 55.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.681 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.13 106.98 16.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.176 0.512 . . . . 0.0 110.553 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -134.95 132.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.208 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 t 55.92 39.42 30.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.416 0.627 . . . . 0.0 110.32 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m120 61.65 26.82 16.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.782 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -140.09 136.25 33.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.188 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.438 ' HB3' HD21 ' A' ' 28' ' ' LEU . 1.5 m -96.05 141.14 29.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.592 ' O ' ' HD3' ' A' ' 36' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.596 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.478 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 10.1 t70 . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.478 ' H ' ' CG ' ' A' ' 1' ' ' ASP . 39.7 tt0 -58.26 -47.58 83.14 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.764 0.426 . . . . 0.0 111.981 -174.39 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 t -112.73 94.79 30.2 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.187 0.518 . . . . 0.0 110.624 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -85.43 47.16 1.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.665 2.244 . . . . 0.0 112.256 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.13 166.63 21.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.128 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -77.19 81.37 3.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.5 p -59.55 131.04 49.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.978 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -85.42 142.06 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.37 0.605 . . . . 0.0 111.235 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 p -88.3 171.64 10.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.832 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -61.81 137.54 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.494 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.65 -19.03 55.19 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.209 174.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -87.61 152.14 22.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.999 0.428 . . . . 0.0 110.439 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.653 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 62.2 t80 -69.33 133.28 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.829 -175.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -112.38 134.53 53.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.022 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.83 151.75 46.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.537 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 p -44.8 123.47 4.86 Favored Pre-proline 0 N--CA 1.461 0.112 0 O-C-N 123.568 0.542 . . . . 0.0 111.903 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.96 -39.41 14.11 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 123.257 2.638 . . . . 0.0 114.528 -164.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.52 -23.09 64.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -165.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.5 m -84.1 -21.79 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.0 p80 -125.98 -30.0 3.02 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.2 -37.12 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.383 0.913 . . . . 0.0 115.383 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -101.44 139.52 36.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.364 0.582 . . . . 0.0 110.021 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.42 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.82 -47.93 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.091 175.297 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -78.3 141.55 38.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.066 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.44 146.51 26.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.71 -142.65 32.55 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.416 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -80.76 3.64 21.67 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.09 144.92 55.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.65 139.6 53.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.306 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.4 t -78.64 99.82 6.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.252 0.549 . . . . 0.0 109.645 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.19 133.4 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.444 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m 58.84 33.01 22.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 63.02 24.53 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.961 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 p -139.28 141.08 37.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.535 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 76.8 m -90.98 128.61 36.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.751 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.451 -178.865 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' HG3' HG23 ' A' ' 3' ' ' THR . 8.8 pt-20 -104.18 -29.62 10.72 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -174.229 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.426 HG23 ' HG3' ' A' ' 2' ' ' GLU . 3.3 t -163.82 110.89 0.95 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.508 . . . . 0.0 111.62 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -87.34 52.62 2.45 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.653 2.236 . . . . 0.0 111.318 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 56.74 45.8 21.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.267 -173.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -131.69 148.24 52.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.69 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.3 p -118.73 140.99 49.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.562 HG11 ' SG ' ' A' ' 24' ' ' CYS . 5.2 p -82.94 126.09 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.412 0.625 . . . . 0.0 110.433 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -81.37 171.67 14.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.482 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.24 130.63 47.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.639 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.95 -20.15 50.5 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.105 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -86.06 162.31 18.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.869 0.366 . . . . 0.0 111.173 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.58 119.95 9.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.897 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.29 130.82 52.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.91 157.25 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -43.83 118.56 2.93 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 121.762 0.792 . . . . 0.0 112.593 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.49 -37.54 12.88 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.449 2.766 . . . . 0.0 113.85 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.64 -29.45 70.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -169.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -89.33 0.29 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.472 ' C ' ' H ' ' A' ' 22' ' ' ASP . 41.9 m80 -126.22 -30.91 2.86 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.749 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.37 -35.26 0.12 Allowed Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.639 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.472 ' H ' ' C ' ' A' ' 20' ' ' HIS . 30.8 t70 -101.84 128.99 47.96 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.483 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 1.3 p-90 -158.88 -94.96 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.562 ' SG ' HG11 ' A' ' 8' ' ' VAL . 86.6 m -81.61 153.89 26.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.608 . . . . 0.0 112.323 -173.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m -67.57 134.69 51.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.11 -132.41 48.77 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.415 -0.812 . . . . 0.0 114.136 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 m -96.56 19.33 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 111.61 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.6 144.35 37.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.507 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 51.1 mttp -114.46 140.89 48.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.86 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 t -93.33 109.52 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -173.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.47 128.87 52.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.47 34.35 24.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.375 0.607 . . . . 0.0 110.19 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.09 28.52 18.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.359 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 p -138.11 133.02 32.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.859 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.507 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.4 m -91.1 149.84 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.039 0.447 . . . . 0.0 112.067 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 36' ' ' ARG . 5.2 ptp180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.157 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . 0.523 ' OD1' ' HG2' ' A' ' 4' ' ' PRO . 5.3 p-10 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.2 -29.77 63.98 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -174.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.564 ' HB ' ' CD ' ' A' ' 4' ' ' PRO . 38.3 m -137.31 -67.1 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.003 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.564 ' CD ' ' HB ' ' A' ' 3' ' ' THR . 39.0 Cg_endo -68.45 166.3 26.08 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 121.541 1.494 . . . . 0.0 112.022 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -91.93 53.49 2.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.605 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -108.62 142.71 38.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.051 176.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -104.15 154.15 20.08 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.612 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.645 HG11 ' SG ' ' A' ' 24' ' ' CYS . 2.6 p -85.07 130.26 36.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.29 0.567 . . . . 0.0 111.071 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.5 p -89.95 172.21 9.02 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.829 -175.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.484 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.7 ttt180 -58.8 132.91 55.31 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.141 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.36 -8.66 75.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 113.123 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -97.58 161.18 13.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.837 0.351 . . . . 0.0 110.672 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.17 124.88 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.169 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.2 t -102.88 120.56 40.83 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.055 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.36 141.86 33.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.614 ' O ' HG23 ' A' ' 19' ' ' VAL . 12.4 p -41.06 117.41 1.53 Allowed Pre-proline 0 N--CA 1.463 0.183 0 O-C-N 124.029 0.831 . . . . 0.0 112.482 -172.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.509 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 51.8 Cg_exo -55.32 -33.34 84.79 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 123.539 2.826 . . . . 0.0 113.136 -173.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.81 -24.22 63.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.614 HG23 ' O ' ' A' ' 16' ' ' THR . 32.9 m -82.54 -23.87 8.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.481 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.96 -28.13 3.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.75 -32.39 1.03 Allowed Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.441 -0.409 . . . . 0.0 113.288 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.91 121.99 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.519 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -151.58 -95.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.006 -0.434 . . . . 0.0 111.841 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.645 ' SG ' HG11 ' A' ' 8' ' ' VAL . 72.9 m -82.63 149.88 27.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.047 0.451 . . . . 0.0 112.095 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.08 160.45 14.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.342 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.8 -145.31 36.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.492 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -97.12 19.37 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.47 145.66 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.754 -178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 59.9 mtpt -120.18 136.74 54.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -80.21 97.26 6.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.5 t -116.41 117.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.067 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 t 58.1 38.92 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.47 0.652 . . . . 0.0 110.204 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 61.79 26.85 16.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.462 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -137.55 131.0 31.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.3 m -92.28 141.99 27.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.42 0.629 . . . . 0.0 112.472 -176.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.484 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 11.3 ptp180 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.606 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 121.064 0.459 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -145.72 -47.55 0.21 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.577 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 p -115.86 152.33 47.36 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.716 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.02 95.75 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.286 1.991 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -74.02 -159.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.14 -3.02 27.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.354 0.597 . . . . 0.0 109.711 173.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.526 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 24.4 p -59.24 130.31 46.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.974 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 p -86.52 147.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.097 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -82.75 171.0 14.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.068 0.461 . . . . 0.0 112.151 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.437 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 61.7 ttp180 -61.46 137.69 58.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.677 -176.021 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.04 -17.58 53.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.737 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -88.57 161.71 16.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.414 0.625 . . . . 0.0 112.082 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.624 ' HE1' ' CE2' ' A' ' 13' ' ' PHE . 69.8 t80 -75.94 142.23 42.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.966 -174.352 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' HE1' ' A' ' 20' ' ' HIS . 42.8 t -132.55 121.2 22.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.757 174.1 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 168.5 10.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.545 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -39.99 115.84 1.14 Allowed Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.75 -30.29 41.52 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.014 2.476 . . . . 0.0 113.077 -171.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -52.34 -28.34 18.96 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.32 -23.32 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.44 ' HE1' ' SG ' ' A' ' 14' ' ' CYS . 12.0 p80 -126.6 -31.43 2.72 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.12 -36.34 0.06 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -100.35 144.91 28.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.592 0.696 . . . . 0.0 110.306 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.752 0.657 . . . . 0.0 110.257 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.1 m -77.0 141.96 40.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.732 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.526 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -85.69 156.96 20.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.733 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.6 -141.49 38.73 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.663 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -94.89 17.72 13.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.19 0.519 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.408 HD22 ' HB2' ' A' ' 10' ' ' ARG . 4.5 mp -69.88 151.64 45.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.591 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.42 140.46 52.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 95.8 m -72.5 91.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.773 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.33 133.52 63.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.786 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t 58.86 32.4 22.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.503 0.668 . . . . 0.0 109.806 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.1 m120 60.5 26.18 15.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.257 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 p -140.44 147.17 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.51 127.95 36.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.437 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.7 ptm180 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.112 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.056 0.455 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.445 ' O ' ' HB ' ' A' ' 3' ' ' THR . 39.8 mt-10 -129.14 -1.6 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.192 0.52 . . . . 0.0 110.28 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.445 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 5.1 t 172.85 -179.24 0.1 OUTLIER Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 -173.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.429 ' HD2' ' OG1' ' A' ' 3' ' ' THR . 36.7 Cg_exo -62.83 60.73 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 CA-C-N 121.591 1.604 . . . . 0.0 111.862 165.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -90.58 -175.18 4.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.176 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -134.56 85.15 2.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.569 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -85.25 127.76 34.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -85.85 141.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -84.82 171.41 12.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.253 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.418 ' N ' HD22 ' A' ' 28' ' ' LEU . 44.7 ttp180 -62.56 135.4 57.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.823 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.53 -19.35 52.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.963 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.16 161.49 18.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.16 0.505 . . . . 0.0 111.145 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.24 146.6 54.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.43 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 t -136.44 137.73 40.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.951 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.25 157.37 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.477 ' O ' HG23 ' A' ' 19' ' ' VAL . 3.3 p -44.13 118.84 3.2 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.458 0.647 . . . . 0.0 112.145 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 32.3 Cg_exo -56.18 -34.65 93.81 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.665 2.91 . . . . 0.0 113.386 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -55.88 -33.29 64.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 16' ' ' THR . 35.4 m -84.15 -23.17 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 16.6 p80 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.31 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.519 0.968 . . . . 0.0 115.519 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.45 138.19 39.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.856 0.828 . . . . 0.0 110.138 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.517 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 177.88 -52.05 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.58 0.55 . . . . 0.0 111.03 175.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.442 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 55.3 m -72.97 130.13 39.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.61 155.2 28.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -176.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.0 -141.16 39.23 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.905 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 m -93.88 19.28 9.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.173 0.511 . . . . 0.0 110.72 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.418 HD22 ' N ' ' A' ' 10' ' ' ARG . 4.6 mp -72.14 156.53 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.199 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.514 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.497 ' SG ' ' HG3' ' A' ' 17' ' ' PRO . 48.8 t -78.05 102.65 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.125 0.488 . . . . 0.0 110.271 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.8 t -128.05 128.29 68.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.382 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m 55.94 39.41 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.09 0.471 . . . . 0.0 111.356 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m120 66.62 23.0 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.667 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 p -140.8 140.98 34.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.2 m -88.48 129.04 35.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.34 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.102 -177.221 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 121.008 0.432 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.81 -63.8 1.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.618 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 t -161.55 83.48 1.81 Allowed Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.517 0.675 . . . . 0.0 109.411 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.79 74.71 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.768 2.312 . . . . 0.0 112.596 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -83.05 52.06 2.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.004 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -134.13 145.34 49.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.625 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -147.41 155.02 41.56 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.403 HG11 ' SG ' ' A' ' 35' ' ' CYS . 13.8 p -85.55 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -90.22 165.48 13.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.382 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 40.1 ttm180 -61.87 129.13 39.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.985 -177.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.0 48.12 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.275 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -89.76 159.92 16.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.224 0.535 . . . . 0.0 111.376 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.646 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 57.8 t80 -75.77 134.67 40.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.067 -176.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.5 t -123.5 139.74 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.097 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 163.62 27.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 p -40.66 117.33 1.42 Allowed Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -175.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 25.9 Cg_exo -61.61 -40.77 44.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.46 2.773 . . . . 0.0 113.229 -172.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -66.37 -10.76 46.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.77 -29.53 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.401 ' C ' ' H ' ' A' ' 22' ' ' ASP . 5.9 p80 -127.66 -29.9 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -175.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.79 -36.14 0.1 Allowed Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.968 -0.56 . . . . 0.0 114.453 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 20' ' ' HIS . 6.0 m-20 -100.58 139.39 36.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.278 0.539 . . . . 0.0 109.849 172.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.91 -40.59 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.628 0.58 . . . . 0.0 111.322 175.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.406 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 10.9 m -78.22 148.79 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 0.0 112.122 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 62.5 m -72.99 130.83 41.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.259 176.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.23 -124.99 38.31 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.067 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.7 t -90.95 6.55 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.132 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.599 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 6.3 mp -69.85 154.61 41.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 175.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -137.85 140.39 40.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.811 0.339 . . . . 0.0 110.534 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.07 112.99 11.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.006 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.34 132.7 38.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.72 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t 58.08 35.19 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.458 0.647 . . . . 0.0 110.026 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.3 m120 63.91 19.32 11.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.919 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.6 p -130.34 145.18 51.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.175 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.599 ' SG ' ' HB3' ' A' ' 28' ' ' LEU . 32.0 t -94.65 139.79 30.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.065 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.784 0.326 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -106.09 -39.32 6.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.194 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.6 p 46.59 66.98 4.83 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.981 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -85.62 58.92 4.82 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.25 1.967 . . . . 0.0 111.659 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -85.62 37.65 0.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.439 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.94 -40.55 83.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.207 0.527 . . . . 0.0 109.595 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.7 m -88.0 148.94 24.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.094 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.544 HG11 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.5 128.82 38.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p -84.09 169.24 15.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -169.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.04 129.81 43.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.326 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.08 -12.92 68.41 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.936 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -90.31 161.59 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 111.247 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.457 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 57.3 t80 -70.93 137.96 49.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.678 -174.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -125.5 139.04 53.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.863 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.8 166.15 24.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.048 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.42 ' O ' HG23 ' A' ' 19' ' ' VAL . 16.7 p -40.77 119.76 1.67 Allowed Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 121.534 0.683 . . . . 0.0 112.349 -173.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -62.85 -41.1 31.68 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 123.548 2.832 . . . . 0.0 113.741 -166.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.21 -32.33 73.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -169.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 16' ' ' THR . 35.8 m -76.09 -18.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -126.95 -32.02 2.58 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.284 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 -36.8 0.06 OUTLIER Glycine 0 CA--C 1.533 1.193 0 N-CA-C 115.499 0.96 . . . . 0.0 115.499 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -101.72 145.48 29.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.875 0.837 . . . . 0.0 110.039 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 173.62 -52.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.77 0.669 . . . . 0.0 110.417 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 4.8 m -78.62 147.19 33.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 167.73 11.69 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.626 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.16 -138.81 37.17 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.098 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -100.64 18.63 18.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -66.61 150.88 48.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.382 0.61 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -124.98 136.66 53.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.977 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 87.3 m -73.94 93.62 2.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 109.898 172.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.78 129.95 72.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t 56.81 33.71 23.5 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.005 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.457 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 28.3 m120 65.17 27.78 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.745 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.1 p -139.62 139.46 36.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.716 0.293 . . . . 0.0 110.705 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.544 ' SG ' HG11 ' A' ' 8' ' ' VAL . 88.3 m -79.54 119.68 22.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.92 178.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.135 178.298 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.01 -48.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.578 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 m 61.07 76.88 0.39 Allowed Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.348 0.405 . . . . 0.0 111.026 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.25 -168.65 0.66 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.12 2.547 . . . . 0.0 112.208 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -144.99 150.7 37.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.415 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -80.75 -26.86 37.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.297 0.57 . . . . 0.0 110.237 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.3 p -134.69 127.0 30.19 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.691 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' CG1' ' HA ' ' A' ' 24' ' ' CYS . 11.3 p -68.21 133.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.648 0.737 . . . . 0.0 111.404 -170.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -84.55 171.92 12.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.212 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 19.9 ttt180 -65.06 137.25 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.635 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.28 -19.29 54.58 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.72 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -88.21 160.93 17.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.322 0.582 . . . . 0.0 111.496 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.648 ' HE2' ' CE1' ' A' ' 13' ' ' PHE . 55.4 t80 -72.49 139.81 47.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.379 -175.569 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 t -118.25 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.921 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 164.09 13.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.472 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -40.92 112.65 0.94 Allowed Pre-proline 0 N--CA 1.465 0.297 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.257 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 35.9 Cg_exo -59.1 -38.0 89.41 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.591 2.861 . . . . 0.0 113.53 -170.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.14 -22.18 66.89 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.4 t -79.78 -29.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.3 p80 -127.35 -30.68 2.6 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.3 -37.16 0.06 OUTLIER Glycine 0 CA--C 1.529 0.914 0 CA-C-N 115.454 -0.793 . . . . 0.0 114.975 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -102.02 138.71 38.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.492 0.646 . . . . 0.0 110.223 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.466 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -177.87 -55.46 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.403 0.439 . . . . 0.0 110.723 176.671 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.7 m -71.04 141.56 50.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.297 -177.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.91 161.59 18.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.24 -142.29 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.99 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.1 m -94.52 19.8 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.192 0.52 . . . . 0.0 110.732 -178.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mp -73.56 161.02 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.21 -178.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -144.92 147.98 33.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.448 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.6 m -77.13 91.33 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.189 0.519 . . . . 0.0 110.742 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -106.68 120.8 58.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.395 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t 59.21 35.88 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.415 0.626 . . . . 0.0 109.386 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m120 60.23 30.98 20.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.416 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -137.39 134.46 35.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.407 ' SG ' HG11 ' A' ' 8' ' ' VAL . 69.4 m -78.78 121.73 25.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.307 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 6.6 ptp180 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.586 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.856 0.36 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -158.34 -57.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.238 0.542 . . . . 0.0 109.81 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -156.64 71.12 4.85 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.378 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -68.82 102.99 0.94 Allowed 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.301 2.001 . . . . 0.0 111.75 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -84.83 2.75 40.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.995 0.426 . . . . 0.0 110.528 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.6 -16.34 57.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.067 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 p -97.87 156.51 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.538 HG11 ' SG ' ' A' ' 35' ' ' CYS . 3.2 p -86.45 131.23 35.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.386 0.612 . . . . 0.0 110.882 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -83.7 171.53 13.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.316 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.517 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 14.8 ttt180 -66.34 135.23 54.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.027 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -9.35 75.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.684 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -94.14 161.04 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.666 ' HD1' ' CD2' ' A' ' 13' ' ' PHE . 44.1 t80 -73.83 135.37 43.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.727 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.47 142.4 50.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.07 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 p -42.77 123.72 3.02 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.47 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.69 -45.07 3.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 123.395 2.73 . . . . 0.0 114.428 -164.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.24 -29.87 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -166.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.84 -23.42 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -126.13 -30.87 2.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.279 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.58 -37.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.39 143.31 32.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.729 0.764 . . . . 0.0 110.33 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.8 -48.16 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.533 0.521 . . . . 0.0 111.044 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.4 m -78.15 144.51 36.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.5 m -63.29 137.19 58.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.073 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.25 -124.33 34.79 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.218 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -98.89 19.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.44 146.53 42.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.262 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -114.74 136.34 53.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.38 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.7 m -75.96 99.39 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 170.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.02 133.42 26.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.384 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t 59.8 32.94 21.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.877 -177.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.444 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 25.1 m120 62.56 26.15 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.665 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 p -140.65 144.39 35.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.69 0.281 . . . . 0.0 110.949 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.538 ' SG ' HG11 ' A' ' 8' ' ' VAL . 83.3 m -86.41 128.2 34.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.636 176.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.517 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.5 ptm180 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.072 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.75 0.31 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -81.83 -58.4 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.992 0.425 . . . . 0.0 110.859 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 t -160.68 70.47 2.8 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.685 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.29 140.37 64.01 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.352 2.035 . . . . 0.0 111.036 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -100.65 174.49 6.04 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.957 0.408 . . . . 0.0 110.358 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.55 128.14 47.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.715 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 p -94.21 155.49 17.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.317 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.21 135.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.408 0.623 . . . . 0.0 110.746 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -86.86 172.18 10.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.881 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 41.4 ttp180 -59.81 137.9 57.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.123 -176.153 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.53 -19.13 46.08 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.68 161.59 16.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.161 0.505 . . . . 0.0 111.0 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.622 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 63.3 t80 -63.4 124.72 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.51 -176.561 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.85 125.4 50.25 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.28 24.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 t -42.29 121.79 2.6 Favored Pre-proline 0 C--O 1.239 0.507 0 CA-C-O 121.957 0.884 . . . . 0.0 112.203 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 47.5 Cg_exo -55.86 -34.05 90.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.981 3.121 . . . . 0.0 113.41 -176.103 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.14 -24.81 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.895 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.86 -22.74 6.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -124.11 -30.34 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.286 -170.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.48 -36.67 0.1 OUTLIER Glycine 0 CA--C 1.528 0.849 0 CA-C-N 115.881 -0.6 . . . . 0.0 113.818 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.31 123.05 46.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 167.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.581 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -144.82 -83.78 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.716 -178.777 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.581 ' SG ' ' HE3' ' A' ' 23' ' ' TRP . 92.0 m -81.49 155.43 25.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.3 m -82.06 159.7 23.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.255 176.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.35 -138.8 49.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.495 -0.775 . . . . 0.0 114.054 171.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -100.87 19.85 16.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 110.36 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.42 145.14 52.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.484 -178.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -119.65 141.29 49.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.766 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.89 100.32 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 -175.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.57 126.76 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m 56.67 32.62 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.185 0.517 . . . . 0.0 110.495 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.422 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 19.7 m120 58.82 32.36 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.38 -176.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -140.27 135.77 32.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.237 171.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.27 146.92 24.3 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.438 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 15.5 ptm180 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.907 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -173.6 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 t -167.92 74.13 0.91 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.865 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.18 31.29 0.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.314 2.009 . . . . 0.0 111.253 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.6 -10.92 60.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.745 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.49 73.49 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 175.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.4 p -97.16 161.2 13.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.039 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.504 HG11 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.65 126.74 40.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.402 0.62 . . . . 0.0 110.468 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -86.31 171.57 11.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.298 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -55.47 131.88 47.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.772 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.2 -19.33 54.68 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.203 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -85.65 159.08 19.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 0.0 110.884 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 1.661 ' HD2' ' CD1' ' A' ' 13' ' ' PHE . 40.4 t80 -67.77 143.74 55.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.809 -176.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -133.11 140.93 47.9 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.918 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 161.26 28.1 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.425 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -45.52 118.59 4.09 Favored Pre-proline 0 CA--C 1.532 0.281 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -177.063 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 67.9 Cg_exo -49.8 -49.18 16.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.803 3.002 . . . . 0.0 113.94 -167.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.54 -8.42 51.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.781 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.3 t -85.45 -25.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.434 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.434 ' ND1' ' HB2' ' A' ' 23' ' ' TRP . 13.2 p80 -127.36 -32.49 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -175.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.38 -38.36 0.05 OUTLIER Glycine 0 CA--C 1.532 1.1 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -104.47 145.56 30.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.468 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.434 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 169.7 -44.84 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.244 0.618 . . . . 0.0 110.83 176.35 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 m -78.02 141.14 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.251 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.0 m -64.82 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.498 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.73 -128.32 34.85 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.88 172.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -97.01 13.74 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 110.402 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -128.91 143.95 51.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 t -79.66 107.12 12.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.033 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.84 130.05 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.888 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t 57.4 37.94 28.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.284 0.564 . . . . 0.0 110.289 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m120 59.41 28.91 18.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.469 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -141.77 146.21 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.3 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.504 ' SG ' HG11 ' A' ' 8' ' ' VAL . 73.0 m -91.47 135.97 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.117 -178.841 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.11 0.481 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -80.99 -51.16 8.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.409 ' O ' HG21 ' A' ' 3' ' ' THR . 5.0 t -148.75 91.94 4.54 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.884 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -66.05 107.93 1.22 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.205 1.937 . . . . 0.0 112.49 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -83.34 61.96 6.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.972 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -124.39 166.64 15.62 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.446 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 31.1 p -92.03 123.21 35.22 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.592 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.695 ' HB ' ' SG ' ' A' ' 24' ' ' CYS . 98.4 t -66.2 133.98 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.708 -176.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -93.66 171.23 9.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.808 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.7 ttp180 -63.64 130.44 44.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.817 -179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.29 -18.77 56.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.374 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -87.21 153.66 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.345 -178.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' CE2' ' HB3' ' A' ' 33' ' ' ASN . 57.6 t80 -70.45 136.72 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.377 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -128.43 137.32 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.174 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.52 156.32 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 t -40.94 125.47 1.99 Allowed Pre-proline 0 N--CA 1.467 0.406 0 CA-C-O 121.922 0.868 . . . . 0.0 112.361 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 36.6 Cg_endo -66.6 -29.61 43.64 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.434 2.756 . . . . 0.0 113.053 -171.145 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.44 -21.54 66.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.8 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.6 -29.17 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' C ' ' H ' ' A' ' 22' ' ' ASP . 12.2 p80 -126.52 -31.34 2.75 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.215 -176.375 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.55 -37.01 0.05 OUTLIER Glycine 0 CA--C 1.529 0.934 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.4 ' H ' ' C ' ' A' ' 20' ' ' HIS . 26.2 t70 -101.26 136.64 40.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 117.285 0.543 . . . . 0.0 110.258 176.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.598 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 177.08 -56.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.826 0.704 . . . . 0.0 110.455 176.403 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.695 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 84.0 m -79.56 148.68 31.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.26 0.552 . . . . 0.0 112.179 -175.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 157.89 28.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.94 -141.05 47.19 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.363 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -98.28 18.16 17.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.431 . . . . 0.0 110.632 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.22 146.95 49.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.518 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -125.59 131.22 52.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.044 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.432 ' HB2' ' HB3' ' A' ' 17' ' ' PRO . 57.5 m -73.85 94.09 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.253 0.549 . . . . 0.0 110.03 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -123.48 131.22 73.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.758 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t 59.56 32.66 21.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.483 0.658 . . . . 0.0 109.658 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 20.4 m120 63.75 21.65 12.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.778 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -136.94 141.46 42.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.014 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.26 140.49 30.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.238 0.542 . . . . 0.0 111.923 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.78 179.521 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.2 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.795 0.331 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.615 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -87.61 131.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -83.25 171.26 13.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.557 ' HB2' HD21 ' A' ' 28' ' ' LEU . 32.7 ttt180 -61.18 136.13 57.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.366 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.11 -9.33 70.08 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.857 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.15 161.96 13.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.039 0.447 . . . . 0.0 110.758 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -78.21 139.9 38.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.906 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -126.17 143.69 51.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.118 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 161.68 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.847 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 p -42.03 128.97 2.64 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-O 121.847 0.832 . . . . 0.0 112.727 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 39.4 Cg_endo -66.41 -43.59 7.87 Favored 'Trans proline' 0 CA--C 1.519 -0.236 0 C-N-CA 123.534 2.823 . . . . 0.0 113.696 -168.014 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.25 -6.48 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -168.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.1 -30.97 6.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.498 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -129.16 -29.23 2.28 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.77 -36.42 0.14 Allowed Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.666 -0.697 . . . . 0.0 114.792 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.59 141.03 35.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.3 0.55 . . . . 0.0 110.441 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.8 -42.34 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.738 0.649 . . . . 0.0 111.291 174.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 58.2 m -78.54 145.0 35.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.006 0.431 . . . . 0.0 111.123 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m -66.6 150.19 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.15 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.19 -127.39 40.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.244 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -105.54 19.5 20.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.295 0.569 . . . . 0.0 110.215 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 10' ' ' ARG . 2.5 mp -71.82 156.45 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -131.66 146.97 52.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 174.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 30.9 m -75.63 91.39 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 109.798 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.73 127.71 75.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.867 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t 58.07 35.45 25.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.857 0.837 . . . . 0.0 108.939 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.94 27.15 16.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.568 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 m -136.08 142.26 44.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.333 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.615 ' SG ' HG13 ' A' ' 8' ' ' VAL . 74.6 m -87.05 127.05 35.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 0.0 111.173 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 117.799 -1.096 . . . . 0.0 108.864 177.975 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -86.43 138.29 19.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -89.28 171.58 9.67 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -57.91 136.9 57.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.93 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.52 83.36 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.766 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -91.36 158.1 16.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -66.86 134.37 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.435 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.4 t -126.46 121.6 32.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.217 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 155.98 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 p -39.71 121.99 1.47 Allowed Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 123.758 0.661 . . . . 0.0 112.376 -172.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 48.4 Cg_endo -68.16 -41.07 7.7 Favored 'Trans proline' 0 C--N 1.34 0.102 0 C-N-CA 123.419 2.746 . . . . 0.0 114.748 -165.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -56.96 -33.48 67.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -164.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.4 m -75.8 -18.86 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -125.98 -30.6 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.129 -0.629 . . . . 0.0 112.387 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 -35.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.916 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.49 140.63 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.896 0.848 . . . . 0.0 110.464 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 170.0 -47.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.508 1.13 . . . . 0.0 109.944 171.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 m -71.61 134.44 46.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.218 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -81.3 166.8 20.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.84 -132.9 49.53 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.691 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -109.46 20.42 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 0.0 109.513 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.65 148.53 38.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.018 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -111.44 142.06 44.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.363 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 53.0 t -86.93 97.48 10.71 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -134.51 133.28 54.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.697 -174.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 m 58.34 35.08 24.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.365 0.603 . . . . 0.0 110.622 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 m120 64.37 25.92 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.804 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 p -140.74 141.71 34.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.694 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 79.0 m -89.51 127.98 35.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.114 179.728 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.599 HG13 ' SG ' ' A' ' 35' ' ' CYS . 9.9 p -87.24 137.01 21.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.291 0.567 . . . . 0.0 110.457 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -86.38 171.49 11.13 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -57.75 137.69 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.845 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.29 -19.44 53.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.526 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -88.97 161.13 16.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.5 . . . . 0.0 110.963 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -73.11 144.41 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.582 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.2 t -129.34 127.87 41.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.015 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.28 159.24 29.61 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -40.37 118.18 1.43 Allowed Pre-proline 0 N--CA 1.468 0.457 0 CA-C-O 121.998 0.904 . . . . 0.0 112.601 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.88 -23.1 41.6 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.195 2.597 . . . . 0.0 112.667 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.47 -29.87 66.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.913 -173.052 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -93.96 -18.56 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 18.5 p80 -126.64 -30.07 2.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.505 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.22 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -101.64 139.97 36.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.547 0.674 . . . . 0.0 109.892 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.81 -48.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.599 0.562 . . . . 0.0 110.388 177.692 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 m -78.62 150.72 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 85.9 m -71.81 141.35 49.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.83 -136.22 41.12 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.423 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -92.84 18.88 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 0.0 110.557 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 5.3 mp -68.76 149.73 48.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.63 145.36 51.89 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.817 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.18 90.43 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.228 0.537 . . . . 0.0 110.008 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.65 124.75 67.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.081 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t 60.05 34.78 21.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.708 0.766 . . . . 0.0 109.001 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m120 59.05 29.66 19.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.377 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.8 m -137.54 138.64 39.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.925 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.599 ' SG ' HG13 ' A' ' 8' ' ' VAL . 71.1 m -81.06 133.29 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.795 0.331 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 36' ' ' ARG . 1.4 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.733 -1.127 . . . . 0.0 109.421 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 22.6 p . . . . . 0 N--CA 1.45 -0.454 0 CA-C-O 120.802 0.334 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.32 144.5 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.793 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -85.85 167.33 15.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.797 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -58.12 137.1 57.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.694 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.54 1.06 60.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.006 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -104.63 154.68 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.94 0.4 . . . . 0.0 110.543 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -73.88 136.59 43.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.354 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 28.5 p -123.27 139.84 53.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.033 0.444 . . . . 0.0 110.229 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 157.67 37.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.534 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 p -41.44 118.65 1.81 Allowed Pre-proline 0 N--CA 1.464 0.226 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -172.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -67.99 -26.09 37.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.845 2.363 . . . . 0.0 112.628 -173.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -62.5 -28.71 70.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -93.0 -21.06 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -173.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -125.6 -27.81 3.36 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.583 -0.698 . . . . 0.0 112.225 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.94 -34.56 0.24 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.89 137.86 37.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.125 0.462 . . . . 0.0 110.356 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 -49.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.842 0.714 . . . . 0.0 109.994 176.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.8 m -77.47 138.17 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.134 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.417 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -81.5 150.31 28.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.68 -138.87 34.14 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.142 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 t -96.61 19.26 12.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.373 0.606 . . . . 0.0 110.109 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.87 152.16 45.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.918 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -131.27 145.54 51.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.69 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.4 m -77.1 100.51 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.87 123.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.549 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m 58.92 33.73 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.328 -174.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 m120 62.06 32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.456 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -137.03 136.46 38.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.021 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 81.6 m -83.74 130.87 34.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.52 175.648 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.8 p -86.33 129.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.371 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 p -82.31 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.461 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB2' HD21 ' A' ' 28' ' ' LEU . 58.6 ttp180 -61.61 134.12 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.57 -176.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.44 -19.36 54.72 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.683 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -89.86 161.36 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.315 0.579 . . . . 0.0 111.295 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -76.52 136.68 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.556 -174.091 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 t -116.5 134.74 54.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.822 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.06 168.77 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.28 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -38.93 118.58 1.11 Allowed Pre-proline 0 N--CA 1.467 0.379 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 42.9 Cg_endo -67.05 -42.47 8.01 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.263 2.642 . . . . 0.0 113.527 -168.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.72 -31.64 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.23 -24.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -125.83 -31.32 2.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.409 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.5 -36.39 0.06 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 115.39 0.916 . . . . 0.0 115.39 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -100.56 139.28 36.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 109.928 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.2 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.531 0.519 . . . . 0.0 111.081 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 35.8 m -77.99 147.81 34.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.757 0.313 . . . . 0.0 110.759 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 61.0 m -69.0 133.38 48.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.861 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.05 -133.0 43.13 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.744 -0.662 . . . . 0.0 114.354 171.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -82.95 8.36 12.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.999 0.428 . . . . 0.0 110.804 -174.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 10' ' ' ARG . 5.6 mp -71.55 146.57 48.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.209 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -132.33 143.56 49.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.815 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 61.8 m -70.99 93.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 110.517 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 36' ' ' ARG . 7.6 p -121.69 128.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.648 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 57.81 32.47 21.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.754 0.788 . . . . 0.0 109.13 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m120 59.1 27.84 16.93 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.274 -177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -131.85 141.66 49.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 8' ' ' VAL . 75.1 m -89.34 129.49 35.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.67 0.271 . . . . 0.0 111.11 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 3.8 ppt_? . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.357 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 13.9 p . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.26 133.81 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.362 0.601 . . . . 0.0 110.411 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 p -85.28 168.01 15.1 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.81 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 41.0 ttm180 -60.74 128.75 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.557 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.91 -19.1 50.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.133 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -85.7 161.28 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.036 0.418 . . . . 0.0 110.825 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.17 139.3 58.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.87 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 t -124.03 123.88 41.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.241 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 150.41 46.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 p -40.88 116.61 1.39 Allowed Pre-proline 0 N--CA 1.462 0.17 0 O-C-N 123.771 0.669 . . . . 0.0 111.93 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.4 -41.72 11.47 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.189 2.593 . . . . 0.0 114.483 -164.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.64 -27.74 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -165.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 p -80.01 -22.54 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -125.08 -29.68 3.29 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.771 -0.581 . . . . 0.0 112.017 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.15 -34.81 0.11 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.08 136.02 40.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.799 0.8 . . . . 0.0 110.6 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.89 -50.24 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.863 0.727 . . . . 0.0 111.107 174.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.2 m -68.24 133.08 48.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 110.899 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.417 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 2.6 t -79.93 162.07 25.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.091 -178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.37 -135.11 50.06 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.944 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -102.57 20.46 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.967 0.413 . . . . 0.0 110.483 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.12 162.56 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.181 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -131.8 145.41 51.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.461 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.11 110.17 17.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -128.54 125.83 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.111 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 t 52.94 41.87 32.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 110.762 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m120 64.2 25.71 13.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.816 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 p -140.84 136.4 32.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.714 0.292 . . . . 0.0 110.242 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 73.3 m -85.3 135.5 33.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.741 0.305 . . . . 0.0 110.404 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.781 -178.735 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.524 HG13 ' SG ' ' A' ' 35' ' ' CYS . 5.9 p -86.19 126.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.477 0.656 . . . . 0.0 110.293 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 p -81.35 168.75 18.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.414 -173.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.532 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 3.2 tmm_? -56.69 126.93 28.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.047 -177.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 10' ' ' ARG . . . 96.74 -15.56 62.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.633 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -86.17 159.57 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.489 0.644 . . . . 0.0 111.439 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -63.69 135.53 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.766 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.0 128.25 43.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.145 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.94 139.97 33.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 p -52.82 110.82 2.16 Favored Pre-proline 0 CA--C 1.528 0.105 0 CA-C-O 121.454 0.645 . . . . 0.0 112.591 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.44 -14.21 27.88 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 124.013 3.142 . . . . 0.0 113.288 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -50.31 -25.79 4.14 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -164.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.1 -28.84 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.932 -0.48 . . . . 0.0 111.329 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.59 ' HE1' ' CD1' ' A' ' 23' ' ' TRP . 2.5 p80 -127.47 -27.46 2.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.99 -29.81 11.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 121.578 -0.344 . . . . 0.0 113.513 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.42 148.77 22.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.816 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.59 ' CD1' ' HE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 167.46 -47.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.407 1.067 . . . . 0.0 111.023 173.353 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.4 m -78.1 140.43 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -64.69 142.46 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.53 -129.08 39.29 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.39 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -103.53 19.62 19.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.308 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.64 157.06 30.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -128.63 145.89 51.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.11 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 t -86.63 107.23 18.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.4 t -124.54 128.01 73.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.04 35.61 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.384 0.611 . . . . 0.0 110.426 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.3 m120 64.31 29.6 13.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.458 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -141.55 136.65 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.524 ' SG ' HG13 ' A' ' 8' ' ' VAL . 72.1 m -84.2 134.16 34.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.867 0.365 . . . . 0.0 110.959 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.532 ' HA ' ' HG2' ' A' ' 10' ' ' ARG . 13.5 ptm180 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.896 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.854 0.359 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 p -78.65 128.68 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 121.447 0.641 . . . . 0.0 109.678 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 p -89.46 171.78 9.47 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.845 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.9 ttp180 -53.62 132.74 41.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.037 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.37 69.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.432 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -93.86 161.49 14.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.039 0.419 . . . . 0.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.01 133.24 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.304 -172.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.01 118.06 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.727 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 160.89 31.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 19' ' ' VAL . 6.3 p -39.46 112.91 0.8 Allowed Pre-proline 0 N--CA 1.468 0.448 0 CA-C-O 121.415 0.626 . . . . 0.0 112.231 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.13 -41.54 12.8 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.156 2.571 . . . . 0.0 113.859 -165.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.32 -29.88 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 16' ' ' THR . 35.2 m -80.59 -16.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -126.1 -30.16 2.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.55 -32.38 0.13 Allowed Glycine 0 CA--C 1.532 1.153 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -97.54 172.25 7.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.308 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.6 m0 123.67 -49.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.969 1.707 . . . . 0.0 110.835 170.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.0 m -75.1 133.39 41.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.285 0.564 . . . . 0.0 111.159 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.34 152.45 38.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.56 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.43 -130.36 40.69 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.42 -0.809 . . . . 0.0 113.631 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -111.06 20.19 17.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.146 0.498 . . . . 0.0 109.817 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 35' ' ' CYS . 4.6 mp -54.1 143.52 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.025 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -110.67 128.39 55.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.681 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.13 106.98 16.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.176 0.512 . . . . 0.0 110.553 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -134.95 132.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.208 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 t 55.92 39.42 30.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.416 0.627 . . . . 0.0 110.32 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m120 61.65 26.82 16.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.782 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -140.09 136.25 33.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.188 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.48 ' HB3' HD23 ' A' ' 28' ' ' LEU . 1.5 m -96.05 141.14 29.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.593 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.596 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.953 0.406 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.449 HG13 ' SG ' ' A' ' 35' ' ' CYS . 11.7 p -85.42 142.06 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.37 0.605 . . . . 0.0 111.235 -172.284 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 p -88.3 171.64 10.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.832 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -61.81 137.54 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.494 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.65 -19.03 55.19 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.209 174.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -87.61 152.14 22.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.999 0.428 . . . . 0.0 110.439 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -69.33 133.28 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.829 -175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -112.38 134.53 53.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.022 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.83 151.75 46.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.537 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 p -44.8 123.47 4.86 Favored Pre-proline 0 N--CA 1.461 0.112 0 O-C-N 123.568 0.542 . . . . 0.0 111.903 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.96 -39.41 14.11 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 123.257 2.638 . . . . 0.0 114.528 -164.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.52 -23.09 64.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -165.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.5 m -84.1 -21.79 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.0 p80 -125.98 -30.0 3.02 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.2 -37.12 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.383 0.913 . . . . 0.0 115.383 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -101.44 139.52 36.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.364 0.582 . . . . 0.0 110.021 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.82 -47.93 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.091 175.297 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -78.3 141.55 38.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.066 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.44 146.51 26.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.71 -142.65 32.55 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.416 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -80.76 3.64 21.67 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.09 144.92 55.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.65 139.6 53.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.306 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.4 t -78.64 99.82 6.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.252 0.549 . . . . 0.0 109.645 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.19 133.4 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.444 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m 58.84 33.01 22.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 63.02 24.53 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.961 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 p -139.28 141.08 37.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.535 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.449 ' SG ' HG13 ' A' ' 8' ' ' VAL . 76.8 m -90.98 128.61 36.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.751 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.451 -178.865 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.59 HG13 ' SG ' ' A' ' 24' ' ' CYS . 5.2 p -82.94 126.09 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.412 0.625 . . . . 0.0 110.433 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -81.37 171.67 14.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.482 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.24 130.63 47.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.639 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.95 -20.15 50.5 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.105 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -86.06 162.31 18.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.869 0.366 . . . . 0.0 111.173 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.58 119.95 9.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.897 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.29 130.82 52.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.91 157.25 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -43.83 118.56 2.93 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 121.762 0.792 . . . . 0.0 112.593 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.49 -37.54 12.88 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.449 2.766 . . . . 0.0 113.85 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.64 -29.45 70.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -169.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -89.33 0.29 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.436 ' C ' ' H ' ' A' ' 22' ' ' ASP . 41.9 m80 -126.22 -30.91 2.86 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.749 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.37 -35.26 0.12 Allowed Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.639 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 20' ' ' HIS . 30.8 t70 -101.84 128.99 47.96 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.477 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 1.3 p-90 -158.88 -94.96 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.59 ' SG ' HG13 ' A' ' 8' ' ' VAL . 86.6 m -81.61 153.89 26.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.608 . . . . 0.0 112.323 -173.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m -67.57 134.69 51.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.11 -132.41 48.77 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.415 -0.812 . . . . 0.0 114.136 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 m -96.56 19.33 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 111.61 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.6 144.35 37.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 51.1 mttp -114.46 140.89 48.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.86 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 t -93.33 109.52 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -173.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.47 128.87 52.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.47 34.35 24.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.375 0.607 . . . . 0.0 110.19 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.09 28.52 18.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.359 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 p -138.11 133.02 32.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.859 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.4 m -91.1 149.84 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.039 0.447 . . . . 0.0 112.067 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 36' ' ' ARG . 5.2 ptp180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.157 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.703 HG13 ' SG ' ' A' ' 24' ' ' CYS . 2.6 p -85.07 130.26 36.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.29 0.567 . . . . 0.0 111.071 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.5 p -89.95 172.21 9.02 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.829 -175.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.7 ttt180 -58.8 132.91 55.31 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.141 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.36 -8.66 75.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 113.123 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -97.58 161.18 13.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.837 0.351 . . . . 0.0 110.672 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.17 124.88 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.169 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.2 t -102.88 120.56 40.83 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.055 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.36 141.86 33.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.629 ' O ' HG22 ' A' ' 19' ' ' VAL . 12.4 p -41.06 117.41 1.53 Allowed Pre-proline 0 N--CA 1.463 0.183 0 O-C-N 124.029 0.831 . . . . 0.0 112.482 -172.654 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 51.8 Cg_exo -55.32 -33.34 84.79 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 123.539 2.826 . . . . 0.0 113.136 -173.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.81 -24.22 63.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 16' ' ' THR . 32.9 m -82.54 -23.87 8.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.481 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.96 -28.13 3.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.75 -32.39 1.03 Allowed Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.441 -0.409 . . . . 0.0 113.288 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.91 121.99 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.514 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -151.58 -95.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.006 -0.434 . . . . 0.0 111.841 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.703 ' SG ' HG13 ' A' ' 8' ' ' VAL . 72.9 m -82.63 149.88 27.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.047 0.451 . . . . 0.0 112.095 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.08 160.45 14.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.342 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.8 -145.31 36.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.492 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -97.12 19.37 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD21 ' N ' ' A' ' 10' ' ' ARG . 4.1 mp -65.47 145.66 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.754 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 59.9 mtpt -120.18 136.74 54.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -80.21 97.26 6.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.5 t -116.41 117.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.067 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 t 58.1 38.92 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.47 0.652 . . . . 0.0 110.204 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 61.79 26.85 16.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.462 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -137.55 131.0 31.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.3 m -92.28 141.99 27.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.42 0.629 . . . . 0.0 112.472 -176.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 11.3 ptp180 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.606 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.531 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 24.4 p . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.079 0.466 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 p -86.52 147.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.097 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -82.75 171.0 14.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.068 0.461 . . . . 0.0 112.151 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 61.7 ttp180 -61.46 137.69 58.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.677 -176.021 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.04 -17.58 53.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.737 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -88.57 161.71 16.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.414 0.625 . . . . 0.0 112.082 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -75.94 142.23 42.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.966 -174.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' HE1' ' A' ' 20' ' ' HIS . 42.8 t -132.55 121.2 22.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.757 174.1 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 168.5 10.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.545 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -39.99 115.84 1.14 Allowed Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.75 -30.29 41.52 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.014 2.476 . . . . 0.0 113.077 -171.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -52.34 -28.34 18.96 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.32 -23.32 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.44 ' HE1' ' SG ' ' A' ' 14' ' ' CYS . 12.0 p80 -126.6 -31.43 2.72 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.12 -36.34 0.06 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -100.35 144.91 28.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.592 0.696 . . . . 0.0 110.306 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.752 0.657 . . . . 0.0 110.257 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.1 m -77.0 141.96 40.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.732 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.531 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -85.69 156.96 20.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.733 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.6 -141.49 38.73 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.663 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -94.89 17.72 13.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.19 0.519 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 10' ' ' ARG . 4.5 mp -69.88 151.64 45.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.591 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.42 140.46 52.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 95.8 m -72.5 91.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.33 133.52 63.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.786 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t 58.86 32.4 22.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.503 0.668 . . . . 0.0 109.806 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.1 m120 60.5 26.18 15.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.257 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 p -140.44 147.17 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.51 127.95 36.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.7 ptm180 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.112 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -85.85 141.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -84.82 171.41 12.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.253 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' HD21 ' A' ' 28' ' ' LEU . 44.7 ttp180 -62.56 135.4 57.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.823 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.53 -19.35 52.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.963 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.16 161.49 18.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.16 0.505 . . . . 0.0 111.145 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.24 146.6 54.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.43 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 t -136.44 137.73 40.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.951 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.25 157.37 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.488 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.3 p -44.13 118.84 3.2 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.458 0.647 . . . . 0.0 112.145 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 32.3 Cg_exo -56.18 -34.65 93.81 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.665 2.91 . . . . 0.0 113.386 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -55.88 -33.29 64.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 16' ' ' THR . 35.4 m -84.15 -23.17 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 16.6 p80 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.31 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.519 0.968 . . . . 0.0 115.519 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.45 138.19 39.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.856 0.828 . . . . 0.0 110.138 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 177.88 -52.05 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.58 0.55 . . . . 0.0 111.03 175.649 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 55.3 m -72.97 130.13 39.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.61 155.2 28.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -176.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.0 -141.16 39.23 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.905 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 m -93.88 19.28 9.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.173 0.511 . . . . 0.0 110.72 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 10' ' ' ARG . 4.6 mp -72.14 156.53 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.199 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.514 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' HG3' ' A' ' 17' ' ' PRO . 48.8 t -78.05 102.65 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.125 0.488 . . . . 0.0 110.271 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.8 t -128.05 128.29 68.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.382 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m 55.94 39.41 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.09 0.471 . . . . 0.0 111.356 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m120 66.62 23.0 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.667 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 p -140.8 140.98 34.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.2 m -88.48 129.04 35.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.34 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.102 -177.221 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.848 0.356 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.434 HG13 ' SG ' ' A' ' 35' ' ' CYS . 13.8 p -85.55 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -90.22 165.48 13.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.382 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 40.1 ttm180 -61.87 129.13 39.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.985 -177.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.0 48.12 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.275 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -89.76 159.92 16.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.224 0.535 . . . . 0.0 111.376 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -75.77 134.67 40.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.067 -176.049 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.5 t -123.5 139.74 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.097 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 163.62 27.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 p -40.66 117.33 1.42 Allowed Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -175.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 25.9 Cg_exo -61.61 -40.77 44.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.46 2.773 . . . . 0.0 113.229 -172.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -66.37 -10.76 46.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.77 -29.53 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -127.66 -29.9 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.79 -36.14 0.1 Allowed Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.968 -0.56 . . . . 0.0 114.453 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.58 139.39 36.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.278 0.539 . . . . 0.0 109.849 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.91 -40.59 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.628 0.58 . . . . 0.0 111.322 175.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 10.9 m -78.22 148.79 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 0.0 112.122 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 62.5 m -72.99 130.83 41.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.259 176.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.23 -124.99 38.31 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.067 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.7 t -90.95 6.55 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.132 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.609 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 6.3 mp -69.85 154.61 41.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 175.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -137.85 140.39 40.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.811 0.339 . . . . 0.0 110.534 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.07 112.99 11.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.006 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.34 132.7 38.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.72 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t 58.08 35.19 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.458 0.647 . . . . 0.0 110.026 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.3 m120 63.91 19.32 11.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.919 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.6 p -130.34 145.18 51.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.175 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.609 ' SG ' ' HB3' ' A' ' 28' ' ' LEU . 32.0 t -94.65 139.79 30.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.065 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.668 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.5 128.82 38.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p -84.09 169.24 15.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -169.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.04 129.81 43.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.326 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.08 -12.92 68.41 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.936 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.31 161.59 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 111.247 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 57.3 t80 -70.93 137.96 49.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.678 -174.142 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -125.5 139.04 53.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.863 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.8 166.15 24.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.048 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 19' ' ' VAL . 16.7 p -40.77 119.76 1.67 Allowed Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 121.534 0.683 . . . . 0.0 112.349 -173.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 32.9 Cg_endo -62.85 -41.1 31.68 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 123.548 2.832 . . . . 0.0 113.741 -166.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.21 -32.33 73.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -169.018 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 16' ' ' THR . 35.8 m -76.09 -18.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -126.95 -32.02 2.58 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.284 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 -36.8 0.06 OUTLIER Glycine 0 CA--C 1.533 1.193 0 N-CA-C 115.499 0.96 . . . . 0.0 115.499 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -101.72 145.48 29.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.875 0.837 . . . . 0.0 110.039 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 173.62 -52.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.77 0.669 . . . . 0.0 110.417 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 4.8 m -78.62 147.19 33.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 167.73 11.69 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.626 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.16 -138.81 37.17 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.098 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -100.64 18.63 18.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -66.61 150.88 48.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.382 0.61 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -124.98 136.66 53.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.977 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 87.3 m -73.94 93.62 2.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 109.898 172.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.78 129.95 72.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t 56.81 33.71 23.5 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.005 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 28.3 m120 65.17 27.78 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.745 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.1 p -139.62 139.46 36.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.716 0.293 . . . . 0.0 110.705 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.668 ' SG ' HG13 ' A' ' 8' ' ' VAL . 88.3 m -79.54 119.68 22.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.92 178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.135 178.298 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 24' ' ' CYS . 11.3 p -68.21 133.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.648 0.737 . . . . 0.0 111.404 -170.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -84.55 171.92 12.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.212 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.534 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 19.9 ttt180 -65.06 137.25 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.635 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.28 -19.29 54.58 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.72 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -88.21 160.93 17.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.322 0.582 . . . . 0.0 111.496 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.49 139.81 47.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.379 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 t -118.25 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.921 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 164.09 13.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -40.92 112.65 0.94 Allowed Pre-proline 0 N--CA 1.465 0.297 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.257 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 35.9 Cg_exo -59.1 -38.0 89.41 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.591 2.861 . . . . 0.0 113.53 -170.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.14 -22.18 66.89 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.4 t -79.78 -29.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.3 p80 -127.35 -30.68 2.6 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.3 -37.16 0.06 OUTLIER Glycine 0 CA--C 1.529 0.914 0 CA-C-N 115.454 -0.793 . . . . 0.0 114.975 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -102.02 138.71 38.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.492 0.646 . . . . 0.0 110.223 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.466 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -177.87 -55.46 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.403 0.439 . . . . 0.0 110.723 176.671 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.7 m -71.04 141.56 50.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.297 -177.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.91 161.59 18.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.24 -142.29 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.99 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.1 m -94.52 19.8 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.192 0.52 . . . . 0.0 110.732 -178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD23 ' HB3' ' A' ' 35' ' ' CYS . 3.8 mp -73.56 161.02 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.21 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -144.92 147.98 33.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.448 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.6 m -77.13 91.33 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.189 0.519 . . . . 0.0 110.742 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -106.68 120.8 58.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.395 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t 59.21 35.88 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.415 0.626 . . . . 0.0 109.386 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m120 60.23 30.98 20.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.416 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -137.39 134.46 35.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' SG ' HG13 ' A' ' 8' ' ' VAL . 69.4 m -78.78 121.73 25.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.307 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 6.6 ptp180 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.586 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.583 HG13 ' SG ' ' A' ' 35' ' ' CYS . 3.2 p -86.45 131.23 35.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.386 0.612 . . . . 0.0 110.882 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -83.7 171.53 13.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.316 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.551 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 14.8 ttt180 -66.34 135.23 54.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.027 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -9.35 75.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.684 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -94.14 161.04 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 33' ' ' ASN . 44.1 t80 -73.83 135.37 43.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.727 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.47 142.4 50.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.07 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 p -42.77 123.72 3.02 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.47 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.69 -45.07 3.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 123.395 2.73 . . . . 0.0 114.428 -164.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.24 -29.87 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -166.479 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.84 -23.42 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -126.13 -30.87 2.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.279 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.58 -37.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.39 143.31 32.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.729 0.764 . . . . 0.0 110.33 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.8 -48.16 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.533 0.521 . . . . 0.0 111.044 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.4 m -78.15 144.51 36.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.5 m -63.29 137.19 58.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.073 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.25 -124.33 34.79 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.218 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -98.89 19.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.44 146.53 42.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.262 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -114.74 136.34 53.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.38 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.7 m -75.96 99.39 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 170.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.02 133.42 26.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.384 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t 59.8 32.94 21.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.877 -177.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 25.1 m120 62.56 26.15 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.665 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 p -140.65 144.39 35.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.69 0.281 . . . . 0.0 110.949 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.583 ' SG ' HG13 ' A' ' 8' ' ' VAL . 83.3 m -86.41 128.2 34.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.636 176.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.5 ptm180 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.072 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.21 135.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.408 0.623 . . . . 0.0 110.746 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -86.86 172.18 10.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.881 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 41.4 ttp180 -59.81 137.9 57.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.123 -176.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.53 -19.13 46.08 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.68 161.59 16.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.161 0.505 . . . . 0.0 111.0 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 63.3 t80 -63.4 124.72 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.51 -176.561 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.85 125.4 50.25 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.28 24.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 t -42.29 121.79 2.6 Favored Pre-proline 0 C--O 1.239 0.507 0 CA-C-O 121.957 0.884 . . . . 0.0 112.203 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 47.5 Cg_exo -55.86 -34.05 90.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.981 3.121 . . . . 0.0 113.41 -176.103 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.14 -24.81 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.895 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.86 -22.74 6.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -124.11 -30.34 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.286 -170.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.48 -36.67 0.1 OUTLIER Glycine 0 CA--C 1.528 0.849 0 CA-C-N 115.881 -0.6 . . . . 0.0 113.818 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.31 123.05 46.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 167.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.576 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -144.82 -83.78 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.716 -178.777 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.576 ' SG ' ' HE3' ' A' ' 23' ' ' TRP . 92.0 m -81.49 155.43 25.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.67 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 58.3 m -82.06 159.7 23.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.255 176.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.35 -138.8 49.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.495 -0.775 . . . . 0.0 114.054 171.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -100.87 19.85 16.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 110.36 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 5.0 mp -61.42 145.14 52.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.484 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -119.65 141.29 49.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.766 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.89 100.32 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 -175.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.57 126.76 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m 56.67 32.62 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.185 0.517 . . . . 0.0 110.495 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 19.7 m120 58.82 32.36 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.38 -176.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -140.27 135.77 32.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.237 171.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.27 146.92 24.3 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.47 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 15.5 ptm180 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.907 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.575 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.65 126.74 40.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.402 0.62 . . . . 0.0 110.468 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -86.31 171.57 11.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.298 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -55.47 131.88 47.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.772 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.2 -19.33 54.68 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.203 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -85.65 159.08 19.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 0.0 110.884 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -67.77 143.74 55.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.809 -176.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -133.11 140.93 47.9 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.918 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 161.26 28.1 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -45.52 118.59 4.09 Favored Pre-proline 0 CA--C 1.532 0.281 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -177.063 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 67.9 Cg_exo -49.8 -49.18 16.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.803 3.002 . . . . 0.0 113.94 -167.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.54 -8.42 51.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.781 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.3 t -85.45 -25.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.434 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . 0.433 ' ND1' ' HB2' ' A' ' 23' ' ' TRP . 13.2 p80 -127.36 -32.49 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -175.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.38 -38.36 0.05 OUTLIER Glycine 0 CA--C 1.532 1.1 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -104.47 145.56 30.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.468 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.433 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 169.7 -44.84 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.244 0.618 . . . . 0.0 110.83 176.35 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 m -78.02 141.14 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.251 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.0 m -64.82 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.498 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.73 -128.32 34.85 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.88 172.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -97.01 13.74 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 110.402 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -128.91 143.95 51.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 t -79.66 107.12 12.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.033 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.84 130.05 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.888 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t 57.4 37.94 28.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.284 0.564 . . . . 0.0 110.289 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m120 59.41 28.91 18.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.469 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -141.77 146.21 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.3 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.575 ' SG ' HG13 ' A' ' 8' ' ' VAL . 73.0 m -91.47 135.97 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.117 -178.841 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 31.1 p . . . . . 0 N--CA 1.445 -0.689 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.707 ' HB ' ' SG ' ' A' ' 24' ' ' CYS . 98.4 t -66.2 133.98 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.708 -176.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -93.66 171.23 9.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.808 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.403 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 60.7 ttp180 -63.64 130.44 44.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.817 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.29 -18.77 56.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.374 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASN . . . . . 0.422 HD22 HG13 ' A' ' 8' ' ' VAL . 59.6 t30 -87.21 153.66 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.345 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 33' ' ' ASN . 57.6 t80 -70.45 136.72 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.377 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -128.43 137.32 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.174 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.52 156.32 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 t -40.94 125.47 1.99 Allowed Pre-proline 0 N--CA 1.467 0.406 0 CA-C-O 121.922 0.868 . . . . 0.0 112.361 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 36.6 Cg_endo -66.6 -29.61 43.64 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.434 2.756 . . . . 0.0 113.053 -171.145 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.44 -21.54 66.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.8 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.6 -29.17 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -126.52 -31.34 2.75 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.215 -176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.55 -37.01 0.05 OUTLIER Glycine 0 CA--C 1.529 0.934 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.26 136.64 40.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 117.285 0.543 . . . . 0.0 110.258 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.613 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 177.08 -56.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.826 0.704 . . . . 0.0 110.455 176.403 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.707 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 84.0 m -79.56 148.68 31.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.26 0.552 . . . . 0.0 112.179 -175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 157.89 28.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.94 -141.05 47.19 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.363 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -98.28 18.16 17.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.431 . . . . 0.0 110.632 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.22 146.95 49.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.518 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -125.59 131.22 52.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.044 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 17' ' ' PRO . 57.5 m -73.85 94.09 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.253 0.549 . . . . 0.0 110.03 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -123.48 131.22 73.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.758 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t 59.56 32.66 21.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.483 0.658 . . . . 0.0 109.658 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 20.4 m120 63.75 21.65 12.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.778 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -136.94 141.46 42.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.014 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.26 140.49 30.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.238 0.542 . . . . 0.0 111.923 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 11.0 ptm180 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.78 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.672 0.272 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -132.62 174.87 9.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t -127.76 74.35 78.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 121.366 0.603 . . . . 0.0 110.516 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.97 97.41 0.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.562 2.175 . . . . 0.0 112.062 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 57.58 75.78 0.36 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.695 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.48 150.17 36.49 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.313 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.2 p -118.25 151.75 37.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.349 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.615 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -87.61 131.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -83.25 171.26 13.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.557 ' HB2' HD21 ' A' ' 28' ' ' LEU . 32.7 ttt180 -61.18 136.13 57.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.366 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.11 -9.33 70.08 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.857 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.15 161.96 13.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.039 0.447 . . . . 0.0 110.758 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -78.21 139.9 38.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.906 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -126.17 143.69 51.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.118 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 161.68 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.847 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 p -42.03 128.97 2.64 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-O 121.847 0.832 . . . . 0.0 112.727 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 39.4 Cg_endo -66.41 -43.59 7.87 Favored 'Trans proline' 0 CA--C 1.519 -0.236 0 C-N-CA 123.534 2.823 . . . . 0.0 113.696 -168.014 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.25 -6.48 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -168.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.1 -30.97 6.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.498 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -129.16 -29.23 2.28 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.77 -36.42 0.14 Allowed Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.666 -0.697 . . . . 0.0 114.792 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.59 141.03 35.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.3 0.55 . . . . 0.0 110.441 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.8 -42.34 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.738 0.649 . . . . 0.0 111.291 174.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 58.2 m -78.54 145.0 35.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.006 0.431 . . . . 0.0 111.123 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m -66.6 150.19 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.15 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.19 -127.39 40.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.244 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -105.54 19.5 20.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.295 0.569 . . . . 0.0 110.215 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 10' ' ' ARG . 2.5 mp -71.82 156.45 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -131.66 146.97 52.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 174.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 30.9 m -75.63 91.39 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 109.798 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.73 127.71 75.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.867 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t 58.07 35.45 25.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.857 0.837 . . . . 0.0 108.939 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.94 27.15 16.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.568 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 m -136.08 142.26 44.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.333 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.615 ' SG ' HG13 ' A' ' 8' ' ' VAL . 74.6 m -87.05 127.05 35.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 0.0 111.173 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 117.799 -1.096 . . . . 0.0 108.864 177.975 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.015 0.436 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -102.78 -67.49 0.88 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.162 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 m 52.03 68.45 3.17 Favored Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.084 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -85.96 118.56 1.75 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.221 1.947 . . . . 0.0 112.374 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -108.13 69.47 0.73 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -81.56 69.82 8.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.716 0.769 . . . . 0.0 109.648 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -151.23 142.24 23.05 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.929 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -86.43 138.29 19.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -89.28 171.58 9.67 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -57.91 136.9 57.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.93 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.52 83.36 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.766 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -91.36 158.1 16.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -66.86 134.37 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.435 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.4 t -126.46 121.6 32.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.217 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 155.98 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 p -39.71 121.99 1.47 Allowed Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 123.758 0.661 . . . . 0.0 112.376 -172.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 48.4 Cg_endo -68.16 -41.07 7.7 Favored 'Trans proline' 0 C--N 1.34 0.102 0 C-N-CA 123.419 2.746 . . . . 0.0 114.748 -165.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -56.96 -33.48 67.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -164.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.4 m -75.8 -18.86 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -125.98 -30.6 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.129 -0.629 . . . . 0.0 112.387 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 -35.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.916 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.49 140.63 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.896 0.848 . . . . 0.0 110.464 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 170.0 -47.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.508 1.13 . . . . 0.0 109.944 171.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 m -71.61 134.44 46.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.218 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -81.3 166.8 20.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.84 -132.9 49.53 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.691 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -109.46 20.42 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 0.0 109.513 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.65 148.53 38.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.018 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -111.44 142.06 44.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.363 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 53.0 t -86.93 97.48 10.71 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -134.51 133.28 54.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.697 -174.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 m 58.34 35.08 24.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.365 0.603 . . . . 0.0 110.622 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 m120 64.37 25.92 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.804 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 p -140.74 141.71 34.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.694 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 79.0 m -89.51 127.98 35.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.114 179.728 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.893 0.378 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 60.45 -176.84 0.11 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.873 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -157.4 138.19 9.31 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.58 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 73.4 Cg_endo -76.42 75.43 4.33 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.504 2.136 . . . . 0.0 113.067 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 7.8 p-10 -73.74 109.09 6.97 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 34.9 tt0 70.89 -64.57 0.37 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.997 -172.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -150.04 146.7 27.12 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.599 HG13 ' SG ' ' A' ' 35' ' ' CYS . 9.9 p -87.24 137.01 21.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.291 0.567 . . . . 0.0 110.457 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -86.38 171.49 11.13 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -57.75 137.69 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.845 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.29 -19.44 53.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.526 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -88.97 161.13 16.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.5 . . . . 0.0 110.963 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -73.11 144.41 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.582 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.2 t -129.34 127.87 41.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.015 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.28 159.24 29.61 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -40.37 118.18 1.43 Allowed Pre-proline 0 N--CA 1.468 0.457 0 CA-C-O 121.998 0.904 . . . . 0.0 112.601 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.88 -23.1 41.6 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.195 2.597 . . . . 0.0 112.667 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.47 -29.87 66.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.913 -173.052 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -93.96 -18.56 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 18.5 p80 -126.64 -30.07 2.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.505 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.22 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -101.64 139.97 36.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.547 0.674 . . . . 0.0 109.892 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.81 -48.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.599 0.562 . . . . 0.0 110.388 177.692 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 m -78.62 150.72 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 85.9 m -71.81 141.35 49.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.83 -136.22 41.12 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.423 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -92.84 18.88 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 0.0 110.557 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 5.3 mp -68.76 149.73 48.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.63 145.36 51.89 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.817 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.18 90.43 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.228 0.537 . . . . 0.0 110.008 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.65 124.75 67.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.081 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t 60.05 34.78 21.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.708 0.766 . . . . 0.0 109.001 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m120 59.05 29.66 19.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.377 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.8 m -137.54 138.64 39.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.925 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.599 ' SG ' HG13 ' A' ' 8' ' ' VAL . 71.1 m -81.06 133.29 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.795 0.331 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 36' ' ' ARG . 1.4 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.733 -1.127 . . . . 0.0 109.421 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.809 0.338 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' HG3' HG22 ' A' ' 3' ' ' THR . 12.3 pt-20 -64.35 -31.34 72.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -177.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.407 HG22 ' HG3' ' A' ' 2' ' ' GLU . 4.1 t -135.31 91.53 18.87 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 121.279 0.561 . . . . 0.0 110.567 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.8 50.68 3.45 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.23 1.953 . . . . 0.0 111.242 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -77.51 12.04 1.77 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.464 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.26 53.68 2.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.547 0.689 . . . . 0.0 110.129 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 22.6 p -74.84 137.99 42.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.494 -176.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.32 144.5 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.793 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -85.85 167.33 15.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.797 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -58.12 137.1 57.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.694 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.54 1.06 60.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.006 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -104.63 154.68 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.94 0.4 . . . . 0.0 110.543 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -73.88 136.59 43.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.354 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 28.5 p -123.27 139.84 53.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.033 0.444 . . . . 0.0 110.229 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 157.67 37.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.534 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 p -41.44 118.65 1.81 Allowed Pre-proline 0 N--CA 1.464 0.226 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -172.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -67.99 -26.09 37.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.845 2.363 . . . . 0.0 112.628 -173.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -62.5 -28.71 70.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -93.0 -21.06 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -173.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -125.6 -27.81 3.36 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.583 -0.698 . . . . 0.0 112.225 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.94 -34.56 0.24 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.89 137.86 37.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.125 0.462 . . . . 0.0 110.356 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 -49.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.842 0.714 . . . . 0.0 109.994 176.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.8 m -77.47 138.17 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.134 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.417 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -81.5 150.31 28.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.68 -138.87 34.14 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.142 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 t -96.61 19.26 12.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.373 0.606 . . . . 0.0 110.109 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.87 152.16 45.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.918 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -131.27 145.54 51.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.69 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.4 m -77.1 100.51 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.87 123.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.549 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m 58.92 33.73 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.328 -174.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 m120 62.06 32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.456 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -137.03 136.46 38.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.021 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 81.6 m -83.74 130.87 34.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.52 175.648 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.714 0.292 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -150.95 -46.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.391 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.8 p -129.24 81.47 70.32 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 111.403 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -87.34 61.58 3.86 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.497 2.131 . . . . 0.0 111.511 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -84.88 47.4 1.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.156 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 59.25 43.08 17.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.8 p -82.87 151.22 26.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.24 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.8 p -86.33 129.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.371 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 p -82.31 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.461 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB2' HD21 ' A' ' 28' ' ' LEU . 58.6 ttp180 -61.61 134.12 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.57 -176.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.44 -19.36 54.72 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.683 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -89.86 161.36 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.315 0.579 . . . . 0.0 111.295 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -76.52 136.68 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.556 -174.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 t -116.5 134.74 54.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.822 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.06 168.77 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.28 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -38.93 118.58 1.11 Allowed Pre-proline 0 N--CA 1.467 0.379 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 42.9 Cg_endo -67.05 -42.47 8.01 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.263 2.642 . . . . 0.0 113.527 -168.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.72 -31.64 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.23 -24.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -125.83 -31.32 2.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.409 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.5 -36.39 0.06 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 115.39 0.916 . . . . 0.0 115.39 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -100.56 139.28 36.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 109.928 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.2 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.531 0.519 . . . . 0.0 111.081 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 35.8 m -77.99 147.81 34.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.757 0.313 . . . . 0.0 110.759 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 61.0 m -69.0 133.38 48.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.861 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.05 -133.0 43.13 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.744 -0.662 . . . . 0.0 114.354 171.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -82.95 8.36 12.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.999 0.428 . . . . 0.0 110.804 -174.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 10' ' ' ARG . 5.6 mp -71.55 146.57 48.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.209 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -132.33 143.56 49.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.815 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 61.8 m -70.99 93.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 110.517 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 36' ' ' ARG . 7.6 p -121.69 128.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.648 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 57.81 32.47 21.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.754 0.788 . . . . 0.0 109.13 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m120 59.1 27.84 16.93 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.274 -177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -131.85 141.66 49.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 8' ' ' VAL . 75.1 m -89.34 129.49 35.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.67 0.271 . . . . 0.0 111.11 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 3.8 ppt_? . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.357 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.446 0.641 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -98.6 -53.81 3.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.623 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 t -164.97 74.73 1.46 Allowed Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.626 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.66 120.01 7.03 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.009 1.806 . . . . 0.0 112.462 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -82.45 -176.85 6.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.826 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 1.3 pm0 -68.14 130.41 42.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.239 0.543 . . . . 0.0 110.331 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 13.9 p -78.42 134.13 37.41 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.17 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.26 133.81 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.362 0.601 . . . . 0.0 110.411 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 p -85.28 168.01 15.1 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.81 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 41.0 ttm180 -60.74 128.75 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.557 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.91 -19.1 50.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.133 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -85.7 161.28 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.036 0.418 . . . . 0.0 110.825 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.17 139.3 58.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.87 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 t -124.03 123.88 41.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.241 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 150.41 46.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 p -40.88 116.61 1.39 Allowed Pre-proline 0 N--CA 1.462 0.17 0 O-C-N 123.771 0.669 . . . . 0.0 111.93 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.4 -41.72 11.47 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.189 2.593 . . . . 0.0 114.483 -164.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.64 -27.74 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -165.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 p -80.01 -22.54 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -125.08 -29.68 3.29 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.771 -0.581 . . . . 0.0 112.017 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.15 -34.81 0.11 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.08 136.02 40.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.799 0.8 . . . . 0.0 110.6 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.89 -50.24 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.863 0.727 . . . . 0.0 111.107 174.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.2 m -68.24 133.08 48.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 110.899 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.417 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 2.6 t -79.93 162.07 25.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.091 -178.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.37 -135.11 50.06 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.944 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -102.57 20.46 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.967 0.413 . . . . 0.0 110.483 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.12 162.56 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.181 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -131.8 145.41 51.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.461 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.11 110.17 17.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -128.54 125.83 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.111 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 t 52.94 41.87 32.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 110.762 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m120 64.2 25.71 13.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.816 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 p -140.84 136.4 32.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.714 0.292 . . . . 0.0 110.242 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 73.3 m -85.3 135.5 33.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.741 0.305 . . . . 0.0 110.404 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.781 -178.735 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.934 0.397 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -90.92 -16.12 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.022 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.6 m 61.48 74.28 0.52 Allowed Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.301 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.48 86.64 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.497 2.131 . . . . 0.0 111.589 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -81.47 3.89 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.66 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -103.03 113.13 26.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.033 0.444 . . . . 0.0 110.129 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 p -137.46 155.91 48.76 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.664 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.524 HG13 ' SG ' ' A' ' 35' ' ' CYS . 5.9 p -86.19 126.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.477 0.656 . . . . 0.0 110.293 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 p -81.35 168.75 18.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.414 -173.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.532 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 3.2 tmm_? -56.69 126.93 28.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.047 -177.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 10' ' ' ARG . . . 96.74 -15.56 62.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.633 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -86.17 159.57 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.489 0.644 . . . . 0.0 111.439 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -63.69 135.53 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.766 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.0 128.25 43.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.145 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.94 139.97 33.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 p -52.82 110.82 2.16 Favored Pre-proline 0 CA--C 1.528 0.105 0 CA-C-O 121.454 0.645 . . . . 0.0 112.591 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.44 -14.21 27.88 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 124.013 3.142 . . . . 0.0 113.288 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -50.31 -25.79 4.14 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -164.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.1 -28.84 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.932 -0.48 . . . . 0.0 111.329 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.59 ' HE1' ' CD1' ' A' ' 23' ' ' TRP . 2.5 p80 -127.47 -27.46 2.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.99 -29.81 11.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 121.578 -0.344 . . . . 0.0 113.513 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.42 148.77 22.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.816 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.59 ' CD1' ' HE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 167.46 -47.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.407 1.067 . . . . 0.0 111.023 173.353 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.4 m -78.1 140.43 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -64.69 142.46 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.53 -129.08 39.29 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.39 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -103.53 19.62 19.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.308 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.64 157.06 30.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -128.63 145.89 51.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.11 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 t -86.63 107.23 18.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.4 t -124.54 128.01 73.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.04 35.61 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.384 0.611 . . . . 0.0 110.426 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.3 m120 64.31 29.6 13.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.458 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -141.55 136.65 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.524 ' SG ' HG13 ' A' ' 8' ' ' VAL . 72.1 m -84.2 134.16 34.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.867 0.365 . . . . 0.0 110.959 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.532 ' HA ' ' HG2' ' A' ' 10' ' ' ARG . 13.5 ptm180 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.896 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 121.093 0.473 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -158.48 157.82 32.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.584 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 t -140.38 78.91 21.72 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.247 0.546 . . . . 0.0 110.514 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.39 145.81 92.87 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.621 2.214 . . . . 0.0 111.847 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.46 169.51 17.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.871 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 69.75 123.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.032 0.833 . . . . 0.0 110.654 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -69.23 138.59 54.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.302 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 p -78.65 128.68 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 121.447 0.641 . . . . 0.0 109.678 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 p -89.46 171.78 9.47 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.845 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.9 ttp180 -53.62 132.74 41.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.037 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.37 69.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.432 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -93.86 161.49 14.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.039 0.419 . . . . 0.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.01 133.24 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.304 -172.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.01 118.06 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.727 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 160.89 31.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 19' ' ' VAL . 6.3 p -39.46 112.91 0.8 Allowed Pre-proline 0 N--CA 1.468 0.448 0 CA-C-O 121.415 0.626 . . . . 0.0 112.231 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.13 -41.54 12.8 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.156 2.571 . . . . 0.0 113.859 -165.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.32 -29.88 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 16' ' ' THR . 35.2 m -80.59 -16.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -126.1 -30.16 2.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.55 -32.38 0.13 Allowed Glycine 0 CA--C 1.532 1.153 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -97.54 172.25 7.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.308 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.6 m0 123.67 -49.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.969 1.707 . . . . 0.0 110.835 170.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.0 m -75.1 133.39 41.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.285 0.564 . . . . 0.0 111.159 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.34 152.45 38.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.56 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.43 -130.36 40.69 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.42 -0.809 . . . . 0.0 113.631 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -111.06 20.19 17.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.146 0.498 . . . . 0.0 109.817 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 35' ' ' CYS . 4.6 mp -54.1 143.52 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.025 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -110.67 128.39 55.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.681 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.13 106.98 16.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.176 0.512 . . . . 0.0 110.553 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -134.95 132.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.208 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 t 55.92 39.42 30.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.416 0.627 . . . . 0.0 110.32 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m120 61.65 26.82 16.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.782 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -140.09 136.25 33.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.188 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' HB3' HD23 ' A' ' 28' ' ' LEU . 1.5 m -96.05 141.14 29.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.593 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.596 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 10.1 t70 . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.448 ' H ' ' CG ' ' A' ' 1' ' ' ASP . 39.7 tt0 -58.26 -47.58 83.14 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.764 0.426 . . . . 0.0 111.981 -174.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 t -112.73 94.79 30.2 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.187 0.518 . . . . 0.0 110.624 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -85.43 47.16 1.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.665 2.244 . . . . 0.0 112.256 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.13 166.63 21.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.128 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -77.19 81.37 3.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.5 p -59.55 131.04 49.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.978 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG13 ' SG ' ' A' ' 35' ' ' CYS . 11.7 p -85.42 142.06 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.37 0.605 . . . . 0.0 111.235 -172.284 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 p -88.3 171.64 10.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.832 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -61.81 137.54 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.494 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.65 -19.03 55.19 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.209 174.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -87.61 152.14 22.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.999 0.428 . . . . 0.0 110.439 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -69.33 133.28 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.829 -175.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -112.38 134.53 53.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.022 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.83 151.75 46.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.537 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 p -44.8 123.47 4.86 Favored Pre-proline 0 N--CA 1.461 0.112 0 O-C-N 123.568 0.542 . . . . 0.0 111.903 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.96 -39.41 14.11 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 123.257 2.638 . . . . 0.0 114.528 -164.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.52 -23.09 64.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -165.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.5 m -84.1 -21.79 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.0 p80 -125.98 -30.0 3.02 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.2 -37.12 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.383 0.913 . . . . 0.0 115.383 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -101.44 139.52 36.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.364 0.582 . . . . 0.0 110.021 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.82 -47.93 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.091 175.297 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -78.3 141.55 38.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.066 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.44 146.51 26.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.71 -142.65 32.55 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.416 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -80.76 3.64 21.67 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.09 144.92 55.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.65 139.6 53.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.306 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.4 t -78.64 99.82 6.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.252 0.549 . . . . 0.0 109.645 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.19 133.4 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.444 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m 58.84 33.01 22.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 63.02 24.53 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.961 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 p -139.28 141.08 37.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.535 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.449 ' SG ' HG13 ' A' ' 8' ' ' VAL . 76.8 m -90.98 128.61 36.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.751 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.451 -178.865 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' HG3' HG22 ' A' ' 3' ' ' THR . 8.8 pt-20 -104.18 -29.62 10.72 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -174.229 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.451 HG22 ' HG3' ' A' ' 2' ' ' GLU . 3.3 t -163.82 110.89 0.95 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.508 . . . . 0.0 111.62 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -87.34 52.62 2.45 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.653 2.236 . . . . 0.0 111.318 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 56.74 45.8 21.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.267 -173.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -131.69 148.24 52.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.69 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.3 p -118.73 140.99 49.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.59 HG13 ' SG ' ' A' ' 24' ' ' CYS . 5.2 p -82.94 126.09 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.412 0.625 . . . . 0.0 110.433 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -81.37 171.67 14.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.482 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.24 130.63 47.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.639 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.95 -20.15 50.5 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.105 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -86.06 162.31 18.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.869 0.366 . . . . 0.0 111.173 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.58 119.95 9.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.897 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.29 130.82 52.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.91 157.25 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -43.83 118.56 2.93 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 121.762 0.792 . . . . 0.0 112.593 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.49 -37.54 12.88 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.449 2.766 . . . . 0.0 113.85 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.64 -29.45 70.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -169.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -89.33 0.29 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.436 ' C ' ' H ' ' A' ' 22' ' ' ASP . 41.9 m80 -126.22 -30.91 2.86 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.749 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.37 -35.26 0.12 Allowed Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.639 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 20' ' ' HIS . 30.8 t70 -101.84 128.99 47.96 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.477 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 1.3 p-90 -158.88 -94.96 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.59 ' SG ' HG13 ' A' ' 8' ' ' VAL . 86.6 m -81.61 153.89 26.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.608 . . . . 0.0 112.323 -173.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m -67.57 134.69 51.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.11 -132.41 48.77 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.415 -0.812 . . . . 0.0 114.136 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 m -96.56 19.33 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 111.61 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.6 144.35 37.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 51.1 mttp -114.46 140.89 48.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.86 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 t -93.33 109.52 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -173.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.47 128.87 52.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.47 34.35 24.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.375 0.607 . . . . 0.0 110.19 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.09 28.52 18.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.359 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 p -138.11 133.02 32.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.859 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.4 m -91.1 149.84 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.039 0.447 . . . . 0.0 112.067 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 36' ' ' ARG . 5.2 ptp180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.157 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . 0.519 ' OD1' ' HG2' ' A' ' 4' ' ' PRO . 5.3 p-10 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.2 -29.77 63.98 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -174.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.588 ' HB ' ' CD ' ' A' ' 4' ' ' PRO . 38.3 m -137.31 -67.1 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.003 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.588 ' CD ' ' HB ' ' A' ' 3' ' ' THR . 39.0 Cg_endo -68.45 166.3 26.08 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 121.541 1.494 . . . . 0.0 112.022 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -91.93 53.49 2.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.605 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -108.62 142.71 38.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.051 176.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -104.15 154.15 20.08 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.612 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.703 HG13 ' SG ' ' A' ' 24' ' ' CYS . 2.6 p -85.07 130.26 36.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.29 0.567 . . . . 0.0 111.071 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.5 p -89.95 172.21 9.02 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.829 -175.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.7 ttt180 -58.8 132.91 55.31 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.141 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.36 -8.66 75.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 113.123 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -97.58 161.18 13.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.837 0.351 . . . . 0.0 110.672 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.17 124.88 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.169 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.2 t -102.88 120.56 40.83 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.055 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.36 141.86 33.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.629 ' O ' HG22 ' A' ' 19' ' ' VAL . 12.4 p -41.06 117.41 1.53 Allowed Pre-proline 0 N--CA 1.463 0.183 0 O-C-N 124.029 0.831 . . . . 0.0 112.482 -172.654 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 51.8 Cg_exo -55.32 -33.34 84.79 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 123.539 2.826 . . . . 0.0 113.136 -173.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.81 -24.22 63.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 16' ' ' THR . 32.9 m -82.54 -23.87 8.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.481 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.96 -28.13 3.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.75 -32.39 1.03 Allowed Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.441 -0.409 . . . . 0.0 113.288 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.91 121.99 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.514 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -151.58 -95.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.006 -0.434 . . . . 0.0 111.841 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.703 ' SG ' HG13 ' A' ' 8' ' ' VAL . 72.9 m -82.63 149.88 27.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.047 0.451 . . . . 0.0 112.095 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.08 160.45 14.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.342 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.8 -145.31 36.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.492 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -97.12 19.37 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD21 ' N ' ' A' ' 10' ' ' ARG . 4.1 mp -65.47 145.66 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.754 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 59.9 mtpt -120.18 136.74 54.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -80.21 97.26 6.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.5 t -116.41 117.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.067 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 t 58.1 38.92 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.47 0.652 . . . . 0.0 110.204 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 61.79 26.85 16.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.462 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -137.55 131.0 31.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.3 m -92.28 141.99 27.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.42 0.629 . . . . 0.0 112.472 -176.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 11.3 ptp180 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.606 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 121.064 0.459 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -145.72 -47.55 0.21 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.577 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 p -115.86 152.33 47.36 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.716 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.02 95.75 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.286 1.991 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -74.02 -159.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.14 -3.02 27.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.354 0.597 . . . . 0.0 109.711 173.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.531 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 24.4 p -59.24 130.31 46.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.974 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.2 p -86.52 147.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.097 -179.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -82.75 171.0 14.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.068 0.461 . . . . 0.0 112.151 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 61.7 ttp180 -61.46 137.69 58.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.677 -176.021 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.04 -17.58 53.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.737 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -88.57 161.71 16.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.414 0.625 . . . . 0.0 112.082 -177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -75.94 142.23 42.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.966 -174.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' HE1' ' A' ' 20' ' ' HIS . 42.8 t -132.55 121.2 22.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.757 174.1 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 168.5 10.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.545 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -39.99 115.84 1.14 Allowed Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.75 -30.29 41.52 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.014 2.476 . . . . 0.0 113.077 -171.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -52.34 -28.34 18.96 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.32 -23.32 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.44 ' HE1' ' SG ' ' A' ' 14' ' ' CYS . 12.0 p80 -126.6 -31.43 2.72 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.12 -36.34 0.06 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -100.35 144.91 28.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.592 0.696 . . . . 0.0 110.306 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.752 0.657 . . . . 0.0 110.257 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.1 m -77.0 141.96 40.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.732 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.531 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -85.69 156.96 20.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.733 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.6 -141.49 38.73 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.663 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -94.89 17.72 13.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.19 0.519 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 10' ' ' ARG . 4.5 mp -69.88 151.64 45.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.591 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.42 140.46 52.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 95.8 m -72.5 91.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.33 133.52 63.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.786 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t 58.86 32.4 22.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.503 0.668 . . . . 0.0 109.806 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.1 m120 60.5 26.18 15.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.257 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 p -140.44 147.17 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.51 127.95 36.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.7 ptm180 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.112 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.056 0.455 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.472 ' O ' ' HB ' ' A' ' 3' ' ' THR . 39.8 mt-10 -129.14 -1.6 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.192 0.52 . . . . 0.0 110.28 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 5.1 t 172.85 -179.24 0.1 OUTLIER Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 -173.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 3' ' ' THR . 36.7 Cg_exo -62.83 60.73 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 CA-C-N 121.591 1.604 . . . . 0.0 111.862 165.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -90.58 -175.18 4.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.176 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -134.56 85.15 2.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.569 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -85.25 127.76 34.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -85.85 141.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -84.82 171.41 12.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.253 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' HD21 ' A' ' 28' ' ' LEU . 44.7 ttp180 -62.56 135.4 57.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.823 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.53 -19.35 52.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.963 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.16 161.49 18.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.16 0.505 . . . . 0.0 111.145 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.24 146.6 54.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.43 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 t -136.44 137.73 40.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.951 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.25 157.37 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.488 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.3 p -44.13 118.84 3.2 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.458 0.647 . . . . 0.0 112.145 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 32.3 Cg_exo -56.18 -34.65 93.81 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.665 2.91 . . . . 0.0 113.386 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -55.88 -33.29 64.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 16' ' ' THR . 35.4 m -84.15 -23.17 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 16.6 p80 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.31 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.519 0.968 . . . . 0.0 115.519 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.45 138.19 39.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.856 0.828 . . . . 0.0 110.138 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 177.88 -52.05 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.58 0.55 . . . . 0.0 111.03 175.649 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 55.3 m -72.97 130.13 39.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.61 155.2 28.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -176.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.0 -141.16 39.23 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.905 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 m -93.88 19.28 9.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.173 0.511 . . . . 0.0 110.72 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 10' ' ' ARG . 4.6 mp -72.14 156.53 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.199 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.514 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' HG3' ' A' ' 17' ' ' PRO . 48.8 t -78.05 102.65 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.125 0.488 . . . . 0.0 110.271 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.8 t -128.05 128.29 68.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.382 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m 55.94 39.41 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.09 0.471 . . . . 0.0 111.356 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m120 66.62 23.0 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.667 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 p -140.8 140.98 34.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.2 m -88.48 129.04 35.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.34 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.102 -177.221 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 121.008 0.432 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.81 -63.8 1.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.618 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 t -161.55 83.48 1.81 Allowed Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.517 0.675 . . . . 0.0 109.411 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.79 74.71 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.768 2.312 . . . . 0.0 112.596 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -83.05 52.06 2.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.004 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -134.13 145.34 49.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.625 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -147.41 155.02 41.56 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.434 HG13 ' SG ' ' A' ' 35' ' ' CYS . 13.8 p -85.55 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -90.22 165.48 13.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.382 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 40.1 ttm180 -61.87 129.13 39.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.985 -177.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.0 48.12 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.275 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -89.76 159.92 16.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.224 0.535 . . . . 0.0 111.376 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -75.77 134.67 40.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.067 -176.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.5 t -123.5 139.74 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.097 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 163.62 27.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 p -40.66 117.33 1.42 Allowed Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -175.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 25.9 Cg_exo -61.61 -40.77 44.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.46 2.773 . . . . 0.0 113.229 -172.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -66.37 -10.76 46.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.77 -29.53 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -127.66 -29.9 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.79 -36.14 0.1 Allowed Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.968 -0.56 . . . . 0.0 114.453 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.58 139.39 36.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.278 0.539 . . . . 0.0 109.849 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.91 -40.59 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.628 0.58 . . . . 0.0 111.322 175.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 10.9 m -78.22 148.79 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 0.0 112.122 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 62.5 m -72.99 130.83 41.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.259 176.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.23 -124.99 38.31 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.067 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.7 t -90.95 6.55 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.132 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.609 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 6.3 mp -69.85 154.61 41.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 175.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -137.85 140.39 40.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.811 0.339 . . . . 0.0 110.534 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.07 112.99 11.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.006 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.34 132.7 38.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.72 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t 58.08 35.19 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.458 0.647 . . . . 0.0 110.026 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.3 m120 63.91 19.32 11.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.919 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.6 p -130.34 145.18 51.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.175 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.609 ' SG ' ' HB3' ' A' ' 28' ' ' LEU . 32.0 t -94.65 139.79 30.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.065 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.784 0.326 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -106.09 -39.32 6.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.194 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.6 p 46.59 66.98 4.83 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.981 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -85.62 58.92 4.82 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.25 1.967 . . . . 0.0 111.659 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -85.62 37.65 0.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.439 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.94 -40.55 83.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.207 0.527 . . . . 0.0 109.595 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.7 m -88.0 148.94 24.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.094 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.668 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.5 128.82 38.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p -84.09 169.24 15.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -169.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.04 129.81 43.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.326 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.08 -12.92 68.41 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.936 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -90.31 161.59 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 111.247 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 57.3 t80 -70.93 137.96 49.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.678 -174.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -125.5 139.04 53.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.863 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.8 166.15 24.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.048 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 19' ' ' VAL . 16.7 p -40.77 119.76 1.67 Allowed Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 121.534 0.683 . . . . 0.0 112.349 -173.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 32.9 Cg_endo -62.85 -41.1 31.68 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 123.548 2.832 . . . . 0.0 113.741 -166.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.21 -32.33 73.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -169.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 16' ' ' THR . 35.8 m -76.09 -18.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -126.95 -32.02 2.58 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.284 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 -36.8 0.06 OUTLIER Glycine 0 CA--C 1.533 1.193 0 N-CA-C 115.499 0.96 . . . . 0.0 115.499 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -101.72 145.48 29.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.875 0.837 . . . . 0.0 110.039 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 173.62 -52.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.77 0.669 . . . . 0.0 110.417 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 4.8 m -78.62 147.19 33.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 167.73 11.69 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.626 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.16 -138.81 37.17 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.098 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -100.64 18.63 18.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -66.61 150.88 48.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.382 0.61 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -124.98 136.66 53.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.977 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 87.3 m -73.94 93.62 2.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 109.898 172.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.78 129.95 72.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t 56.81 33.71 23.5 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.005 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 28.3 m120 65.17 27.78 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.745 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.1 p -139.62 139.46 36.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.716 0.293 . . . . 0.0 110.705 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.668 ' SG ' HG13 ' A' ' 8' ' ' VAL . 88.3 m -79.54 119.68 22.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.92 178.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.135 178.298 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.01 -48.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.578 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 m 61.07 76.88 0.39 Allowed Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.348 0.405 . . . . 0.0 111.026 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.25 -168.65 0.66 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.12 2.547 . . . . 0.0 112.208 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -144.99 150.7 37.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.415 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -80.75 -26.86 37.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.297 0.57 . . . . 0.0 110.237 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.3 p -134.69 127.0 30.19 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.691 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 24' ' ' CYS . 11.3 p -68.21 133.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.648 0.737 . . . . 0.0 111.404 -170.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -84.55 171.92 12.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.212 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.534 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 19.9 ttt180 -65.06 137.25 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.635 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.28 -19.29 54.58 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.72 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -88.21 160.93 17.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.322 0.582 . . . . 0.0 111.496 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.49 139.81 47.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.379 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 t -118.25 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.921 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 164.09 13.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -40.92 112.65 0.94 Allowed Pre-proline 0 N--CA 1.465 0.297 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.257 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 35.9 Cg_exo -59.1 -38.0 89.41 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.591 2.861 . . . . 0.0 113.53 -170.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.14 -22.18 66.89 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.4 t -79.78 -29.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.3 p80 -127.35 -30.68 2.6 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.3 -37.16 0.06 OUTLIER Glycine 0 CA--C 1.529 0.914 0 CA-C-N 115.454 -0.793 . . . . 0.0 114.975 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -102.02 138.71 38.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.492 0.646 . . . . 0.0 110.223 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.466 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -177.87 -55.46 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.403 0.439 . . . . 0.0 110.723 176.671 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.7 m -71.04 141.56 50.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.297 -177.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.91 161.59 18.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.24 -142.29 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.99 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.1 m -94.52 19.8 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.192 0.52 . . . . 0.0 110.732 -178.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD23 ' HB3' ' A' ' 35' ' ' CYS . 3.8 mp -73.56 161.02 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.21 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -144.92 147.98 33.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.448 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.6 m -77.13 91.33 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.189 0.519 . . . . 0.0 110.742 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -106.68 120.8 58.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.395 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t 59.21 35.88 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.415 0.626 . . . . 0.0 109.386 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m120 60.23 30.98 20.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.416 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -137.39 134.46 35.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' SG ' HG13 ' A' ' 8' ' ' VAL . 69.4 m -78.78 121.73 25.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.307 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 6.6 ptp180 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.586 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.856 0.36 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -158.34 -57.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.238 0.542 . . . . 0.0 109.81 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -156.64 71.12 4.85 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.378 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -68.82 102.99 0.94 Allowed 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.301 2.001 . . . . 0.0 111.75 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -84.83 2.75 40.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.995 0.426 . . . . 0.0 110.528 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.6 -16.34 57.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.067 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 p -97.87 156.51 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.583 HG13 ' SG ' ' A' ' 35' ' ' CYS . 3.2 p -86.45 131.23 35.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.386 0.612 . . . . 0.0 110.882 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -83.7 171.53 13.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.316 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.551 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 14.8 ttt180 -66.34 135.23 54.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.027 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -9.35 75.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.684 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -94.14 161.04 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 33' ' ' ASN . 44.1 t80 -73.83 135.37 43.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.727 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.47 142.4 50.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.07 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 p -42.77 123.72 3.02 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.47 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.69 -45.07 3.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 123.395 2.73 . . . . 0.0 114.428 -164.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.24 -29.87 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -166.479 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.84 -23.42 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -126.13 -30.87 2.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.279 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.58 -37.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.39 143.31 32.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.729 0.764 . . . . 0.0 110.33 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.8 -48.16 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.533 0.521 . . . . 0.0 111.044 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.4 m -78.15 144.51 36.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.5 m -63.29 137.19 58.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.073 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.25 -124.33 34.79 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.218 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -98.89 19.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.44 146.53 42.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.262 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -114.74 136.34 53.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.38 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.7 m -75.96 99.39 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 170.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.02 133.42 26.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.384 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t 59.8 32.94 21.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.877 -177.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 25.1 m120 62.56 26.15 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.665 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 p -140.65 144.39 35.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.69 0.281 . . . . 0.0 110.949 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.583 ' SG ' HG13 ' A' ' 8' ' ' VAL . 83.3 m -86.41 128.2 34.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.636 176.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.5 ptm180 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.072 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.75 0.31 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -81.83 -58.4 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.992 0.425 . . . . 0.0 110.859 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 t -160.68 70.47 2.8 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.685 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.29 140.37 64.01 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.352 2.035 . . . . 0.0 111.036 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -100.65 174.49 6.04 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.957 0.408 . . . . 0.0 110.358 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.55 128.14 47.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.715 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 p -94.21 155.49 17.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.317 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.21 135.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.408 0.623 . . . . 0.0 110.746 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -86.86 172.18 10.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.881 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 41.4 ttp180 -59.81 137.9 57.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.123 -176.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.53 -19.13 46.08 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.68 161.59 16.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.161 0.505 . . . . 0.0 111.0 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 63.3 t80 -63.4 124.72 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.51 -176.561 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.85 125.4 50.25 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.28 24.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 t -42.29 121.79 2.6 Favored Pre-proline 0 C--O 1.239 0.507 0 CA-C-O 121.957 0.884 . . . . 0.0 112.203 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 47.5 Cg_exo -55.86 -34.05 90.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.981 3.121 . . . . 0.0 113.41 -176.103 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.14 -24.81 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.895 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.86 -22.74 6.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -124.11 -30.34 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.286 -170.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.48 -36.67 0.1 OUTLIER Glycine 0 CA--C 1.528 0.849 0 CA-C-N 115.881 -0.6 . . . . 0.0 113.818 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.31 123.05 46.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 167.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.576 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -144.82 -83.78 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.716 -178.777 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.576 ' SG ' ' HE3' ' A' ' 23' ' ' TRP . 92.0 m -81.49 155.43 25.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.67 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 58.3 m -82.06 159.7 23.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.255 176.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.35 -138.8 49.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.495 -0.775 . . . . 0.0 114.054 171.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -100.87 19.85 16.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 110.36 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 5.0 mp -61.42 145.14 52.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.484 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -119.65 141.29 49.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.766 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.89 100.32 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 -175.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.57 126.76 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m 56.67 32.62 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.185 0.517 . . . . 0.0 110.495 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 19.7 m120 58.82 32.36 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.38 -176.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -140.27 135.77 32.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.237 171.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.27 146.92 24.3 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.47 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 15.5 ptm180 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.907 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -173.6 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 t -167.92 74.13 0.91 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.865 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.18 31.29 0.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.314 2.009 . . . . 0.0 111.253 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.6 -10.92 60.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.745 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.49 73.49 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 175.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.4 p -97.16 161.2 13.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.039 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.575 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.65 126.74 40.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.402 0.62 . . . . 0.0 110.468 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -86.31 171.57 11.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.298 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -55.47 131.88 47.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.772 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.2 -19.33 54.68 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.203 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -85.65 159.08 19.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 0.0 110.884 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -67.77 143.74 55.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.809 -176.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -133.11 140.93 47.9 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.918 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 161.26 28.1 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -45.52 118.59 4.09 Favored Pre-proline 0 CA--C 1.532 0.281 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -177.063 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 67.9 Cg_exo -49.8 -49.18 16.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.803 3.002 . . . . 0.0 113.94 -167.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.54 -8.42 51.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.781 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.3 t -85.45 -25.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.434 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.433 ' ND1' ' HB2' ' A' ' 23' ' ' TRP . 13.2 p80 -127.36 -32.49 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -175.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.38 -38.36 0.05 OUTLIER Glycine 0 CA--C 1.532 1.1 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -104.47 145.56 30.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.468 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.433 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 169.7 -44.84 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.244 0.618 . . . . 0.0 110.83 176.35 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 m -78.02 141.14 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.251 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.0 m -64.82 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.498 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.73 -128.32 34.85 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.88 172.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -97.01 13.74 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 110.402 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -128.91 143.95 51.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 t -79.66 107.12 12.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.033 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.84 130.05 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.888 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t 57.4 37.94 28.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.284 0.564 . . . . 0.0 110.289 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m120 59.41 28.91 18.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.469 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -141.77 146.21 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.3 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.575 ' SG ' HG13 ' A' ' 8' ' ' VAL . 73.0 m -91.47 135.97 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.117 -178.841 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.11 0.481 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -80.99 -51.16 8.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 3' ' ' THR . 5.0 t -148.75 91.94 4.54 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.884 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -66.05 107.93 1.22 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.205 1.937 . . . . 0.0 112.49 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -83.34 61.96 6.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.972 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -124.39 166.64 15.62 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.446 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 31.1 p -92.03 123.21 35.22 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.707 ' HB ' ' SG ' ' A' ' 24' ' ' CYS . 98.4 t -66.2 133.98 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.708 -176.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -93.66 171.23 9.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.808 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.403 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 60.7 ttp180 -63.64 130.44 44.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.817 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.29 -18.77 56.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.374 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . 0.422 HD22 HG13 ' A' ' 8' ' ' VAL . 59.6 t30 -87.21 153.66 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.345 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 33' ' ' ASN . 57.6 t80 -70.45 136.72 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.377 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -128.43 137.32 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.174 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.52 156.32 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 t -40.94 125.47 1.99 Allowed Pre-proline 0 N--CA 1.467 0.406 0 CA-C-O 121.922 0.868 . . . . 0.0 112.361 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 36.6 Cg_endo -66.6 -29.61 43.64 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.434 2.756 . . . . 0.0 113.053 -171.145 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.44 -21.54 66.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.8 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.6 -29.17 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -126.52 -31.34 2.75 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.215 -176.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.55 -37.01 0.05 OUTLIER Glycine 0 CA--C 1.529 0.934 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.26 136.64 40.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 117.285 0.543 . . . . 0.0 110.258 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.613 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 177.08 -56.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.826 0.704 . . . . 0.0 110.455 176.403 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.707 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 84.0 m -79.56 148.68 31.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.26 0.552 . . . . 0.0 112.179 -175.599 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 157.89 28.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.94 -141.05 47.19 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.363 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -98.28 18.16 17.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.431 . . . . 0.0 110.632 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.22 146.95 49.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.518 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -125.59 131.22 52.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.044 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 17' ' ' PRO . 57.5 m -73.85 94.09 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.253 0.549 . . . . 0.0 110.03 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -123.48 131.22 73.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.758 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t 59.56 32.66 21.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.483 0.658 . . . . 0.0 109.658 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 20.4 m120 63.75 21.65 12.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.778 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -136.94 141.46 42.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.014 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.26 140.49 30.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.238 0.542 . . . . 0.0 111.923 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 11.0 ptm180 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.78 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.2 p . . . . . 0 N--CA 1.45 -0.467 0 CA-C-O 120.795 0.331 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.615 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -87.61 131.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -83.25 171.26 13.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.557 ' HB2' HD21 ' A' ' 28' ' ' LEU . 32.7 ttt180 -61.18 136.13 57.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.366 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.11 -9.33 70.08 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.857 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.15 161.96 13.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.039 0.447 . . . . 0.0 110.758 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -78.21 139.9 38.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.906 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -126.17 143.69 51.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.118 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 161.68 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.847 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 p -42.03 128.97 2.64 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-O 121.847 0.832 . . . . 0.0 112.727 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 39.4 Cg_endo -66.41 -43.59 7.87 Favored 'Trans proline' 0 CA--C 1.519 -0.236 0 C-N-CA 123.534 2.823 . . . . 0.0 113.696 -168.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.25 -6.48 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -168.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.1 -30.97 6.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.498 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -129.16 -29.23 2.28 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.77 -36.42 0.14 Allowed Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.666 -0.697 . . . . 0.0 114.792 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.59 141.03 35.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.3 0.55 . . . . 0.0 110.441 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.8 -42.34 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.738 0.649 . . . . 0.0 111.291 174.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 58.2 m -78.54 145.0 35.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.006 0.431 . . . . 0.0 111.123 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m -66.6 150.19 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.15 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.19 -127.39 40.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.244 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -105.54 19.5 20.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.295 0.569 . . . . 0.0 110.215 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 10' ' ' ARG . 2.5 mp -71.82 156.45 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -131.66 146.97 52.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 174.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 30.9 m -75.63 91.39 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 109.798 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.73 127.71 75.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.867 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t 58.07 35.45 25.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.857 0.837 . . . . 0.0 108.939 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.94 27.15 16.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.568 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 m -136.08 142.26 44.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.333 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.615 ' SG ' HG13 ' A' ' 8' ' ' VAL . 74.6 m -87.05 127.05 35.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 0.0 111.173 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 117.799 -1.096 . . . . 0.0 108.864 177.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -86.43 138.29 19.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -89.28 171.58 9.67 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -57.91 136.9 57.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.93 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.52 83.36 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.766 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -91.36 158.1 16.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -66.86 134.37 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.435 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.4 t -126.46 121.6 32.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.217 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 155.98 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 p -39.71 121.99 1.47 Allowed Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 123.758 0.661 . . . . 0.0 112.376 -172.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 48.4 Cg_endo -68.16 -41.07 7.7 Favored 'Trans proline' 0 C--N 1.34 0.102 0 C-N-CA 123.419 2.746 . . . . 0.0 114.748 -165.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -56.96 -33.48 67.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -164.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.4 m -75.8 -18.86 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -125.98 -30.6 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.129 -0.629 . . . . 0.0 112.387 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 -35.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.916 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.49 140.63 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.896 0.848 . . . . 0.0 110.464 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 170.0 -47.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.508 1.13 . . . . 0.0 109.944 171.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 m -71.61 134.44 46.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.218 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -81.3 166.8 20.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.84 -132.9 49.53 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.691 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -109.46 20.42 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 0.0 109.513 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.65 148.53 38.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.018 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -111.44 142.06 44.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.363 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 53.0 t -86.93 97.48 10.71 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -134.51 133.28 54.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.697 -174.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 m 58.34 35.08 24.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.365 0.603 . . . . 0.0 110.622 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 m120 64.37 25.92 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.804 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 p -140.74 141.71 34.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.694 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 79.0 m -89.51 127.98 35.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.114 179.728 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.449 -0.514 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.599 HG13 ' SG ' ' A' ' 35' ' ' CYS . 9.9 p -87.24 137.01 21.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.291 0.567 . . . . 0.0 110.457 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -86.38 171.49 11.13 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -57.75 137.69 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.845 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.29 -19.44 53.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.526 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -88.97 161.13 16.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.5 . . . . 0.0 110.963 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -73.11 144.41 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.582 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.2 t -129.34 127.87 41.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.015 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.28 159.24 29.61 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -40.37 118.18 1.43 Allowed Pre-proline 0 N--CA 1.468 0.457 0 CA-C-O 121.998 0.904 . . . . 0.0 112.601 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.88 -23.1 41.6 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.195 2.597 . . . . 0.0 112.667 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.47 -29.87 66.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.913 -173.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -93.96 -18.56 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 18.5 p80 -126.64 -30.07 2.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.505 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.22 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -101.64 139.97 36.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.547 0.674 . . . . 0.0 109.892 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.81 -48.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.599 0.562 . . . . 0.0 110.388 177.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 m -78.62 150.72 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 85.9 m -71.81 141.35 49.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.83 -136.22 41.12 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.423 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -92.84 18.88 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 0.0 110.557 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 5.3 mp -68.76 149.73 48.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.63 145.36 51.89 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.817 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.18 90.43 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.228 0.537 . . . . 0.0 110.008 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.65 124.75 67.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.081 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t 60.05 34.78 21.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.708 0.766 . . . . 0.0 109.001 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m120 59.05 29.66 19.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.377 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.8 m -137.54 138.64 39.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.925 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.599 ' SG ' HG13 ' A' ' 8' ' ' VAL . 71.1 m -81.06 133.29 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.795 0.331 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 36' ' ' ARG . 1.4 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.733 -1.127 . . . . 0.0 109.421 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 22.6 p . . . . . 0 N--CA 1.45 -0.454 0 CA-C-O 120.802 0.334 . . . . 0.0 110.494 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.32 144.5 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.793 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -85.85 167.33 15.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.797 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -58.12 137.1 57.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.694 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.54 1.06 60.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.006 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -104.63 154.68 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.94 0.4 . . . . 0.0 110.543 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -73.88 136.59 43.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.354 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 28.5 p -123.27 139.84 53.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.033 0.444 . . . . 0.0 110.229 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 157.67 37.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.534 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 p -41.44 118.65 1.81 Allowed Pre-proline 0 N--CA 1.464 0.226 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -172.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -67.99 -26.09 37.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.845 2.363 . . . . 0.0 112.628 -173.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -62.5 -28.71 70.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -93.0 -21.06 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -173.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -125.6 -27.81 3.36 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.583 -0.698 . . . . 0.0 112.225 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.94 -34.56 0.24 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.89 137.86 37.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.125 0.462 . . . . 0.0 110.356 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 -49.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.842 0.714 . . . . 0.0 109.994 176.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.8 m -77.47 138.17 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.134 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.417 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -81.5 150.31 28.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.68 -138.87 34.14 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.142 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 t -96.61 19.26 12.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.373 0.606 . . . . 0.0 110.109 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.87 152.16 45.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.918 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -131.27 145.54 51.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.69 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.4 m -77.1 100.51 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.87 123.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.549 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m 58.92 33.73 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.328 -174.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 m120 62.06 32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.456 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -137.03 136.46 38.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.021 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 81.6 m -83.74 130.87 34.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.52 175.648 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.8 p . . . . . 0 N--CA 1.451 -0.386 0 CA-C-O 120.861 0.362 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.8 p -86.33 129.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.371 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 p -82.31 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.461 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB2' HD21 ' A' ' 28' ' ' LEU . 58.6 ttp180 -61.61 134.12 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.57 -176.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.44 -19.36 54.72 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.683 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -89.86 161.36 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.315 0.579 . . . . 0.0 111.295 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -76.52 136.68 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.556 -174.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 t -116.5 134.74 54.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.822 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.06 168.77 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.28 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -38.93 118.58 1.11 Allowed Pre-proline 0 N--CA 1.467 0.379 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 42.9 Cg_endo -67.05 -42.47 8.01 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.263 2.642 . . . . 0.0 113.527 -168.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.72 -31.64 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.23 -24.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -125.83 -31.32 2.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.409 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.5 -36.39 0.06 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 115.39 0.916 . . . . 0.0 115.39 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -100.56 139.28 36.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 109.928 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.2 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.531 0.519 . . . . 0.0 111.081 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 35.8 m -77.99 147.81 34.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.757 0.313 . . . . 0.0 110.759 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 61.0 m -69.0 133.38 48.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.861 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.05 -133.0 43.13 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.744 -0.662 . . . . 0.0 114.354 171.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -82.95 8.36 12.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.999 0.428 . . . . 0.0 110.804 -174.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 10' ' ' ARG . 5.6 mp -71.55 146.57 48.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.209 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -132.33 143.56 49.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.815 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 61.8 m -70.99 93.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 110.517 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 36' ' ' ARG . 7.6 p -121.69 128.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.648 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 57.81 32.47 21.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.754 0.788 . . . . 0.0 109.13 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m120 59.1 27.84 16.93 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.274 -177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -131.85 141.66 49.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 8' ' ' VAL . 75.1 m -89.34 129.49 35.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.67 0.271 . . . . 0.0 111.11 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 3.8 ppt_? . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.357 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 13.9 p . . . . . 0 N--CA 1.451 -0.385 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.26 133.81 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.362 0.601 . . . . 0.0 110.411 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 p -85.28 168.01 15.1 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.81 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 41.0 ttm180 -60.74 128.75 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.557 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.91 -19.1 50.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.133 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -85.7 161.28 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.036 0.418 . . . . 0.0 110.825 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.17 139.3 58.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.87 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 t -124.03 123.88 41.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.241 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 150.41 46.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 p -40.88 116.61 1.39 Allowed Pre-proline 0 N--CA 1.462 0.17 0 O-C-N 123.771 0.669 . . . . 0.0 111.93 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.4 -41.72 11.47 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.189 2.593 . . . . 0.0 114.483 -164.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.64 -27.74 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -165.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 p -80.01 -22.54 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -125.08 -29.68 3.29 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.771 -0.581 . . . . 0.0 112.017 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.15 -34.81 0.11 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.08 136.02 40.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.799 0.8 . . . . 0.0 110.6 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.89 -50.24 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.863 0.727 . . . . 0.0 111.107 174.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.2 m -68.24 133.08 48.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 110.899 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.417 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 2.6 t -79.93 162.07 25.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.091 -178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.37 -135.11 50.06 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.944 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -102.57 20.46 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.967 0.413 . . . . 0.0 110.483 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.12 162.56 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.181 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -131.8 145.41 51.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.461 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.11 110.17 17.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -128.54 125.83 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.111 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 t 52.94 41.87 32.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 110.762 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m120 64.2 25.71 13.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.816 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 p -140.84 136.4 32.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.714 0.292 . . . . 0.0 110.242 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 73.3 m -85.3 135.5 33.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.741 0.305 . . . . 0.0 110.404 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.781 -178.735 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 p . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.524 HG13 ' SG ' ' A' ' 35' ' ' CYS . 5.9 p -86.19 126.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.477 0.656 . . . . 0.0 110.293 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 p -81.35 168.75 18.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.414 -173.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.532 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 3.2 tmm_? -56.69 126.93 28.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.047 -177.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 10' ' ' ARG . . . 96.74 -15.56 62.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.633 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -86.17 159.57 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.489 0.644 . . . . 0.0 111.439 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -63.69 135.53 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.766 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.0 128.25 43.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.145 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.94 139.97 33.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 p -52.82 110.82 2.16 Favored Pre-proline 0 CA--C 1.528 0.105 0 CA-C-O 121.454 0.645 . . . . 0.0 112.591 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.44 -14.21 27.88 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 124.013 3.142 . . . . 0.0 113.288 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -50.31 -25.79 4.14 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -164.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.1 -28.84 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.932 -0.48 . . . . 0.0 111.329 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.59 ' HE1' ' CD1' ' A' ' 23' ' ' TRP . 2.5 p80 -127.47 -27.46 2.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.99 -29.81 11.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 121.578 -0.344 . . . . 0.0 113.513 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.42 148.77 22.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.816 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.59 ' CD1' ' HE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 167.46 -47.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.407 1.067 . . . . 0.0 111.023 173.353 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.4 m -78.1 140.43 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -64.69 142.46 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.53 -129.08 39.29 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.39 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -103.53 19.62 19.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.308 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.64 157.06 30.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -128.63 145.89 51.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.11 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 t -86.63 107.23 18.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.4 t -124.54 128.01 73.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.04 35.61 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.384 0.611 . . . . 0.0 110.426 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.3 m120 64.31 29.6 13.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.458 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -141.55 136.65 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.524 ' SG ' HG13 ' A' ' 8' ' ' VAL . 72.1 m -84.2 134.16 34.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.867 0.365 . . . . 0.0 110.959 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.532 ' HA ' ' HG2' ' A' ' 10' ' ' ARG . 13.5 ptm180 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.896 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.854 0.359 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 p -78.65 128.68 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 121.447 0.641 . . . . 0.0 109.678 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 p -89.46 171.78 9.47 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.845 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.9 ttp180 -53.62 132.74 41.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.037 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.37 69.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.432 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -93.86 161.49 14.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.039 0.419 . . . . 0.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.01 133.24 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.304 -172.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.01 118.06 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.727 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 160.89 31.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 19' ' ' VAL . 6.3 p -39.46 112.91 0.8 Allowed Pre-proline 0 N--CA 1.468 0.448 0 CA-C-O 121.415 0.626 . . . . 0.0 112.231 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.13 -41.54 12.8 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.156 2.571 . . . . 0.0 113.859 -165.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.32 -29.88 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 16' ' ' THR . 35.2 m -80.59 -16.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -126.1 -30.16 2.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.55 -32.38 0.13 Allowed Glycine 0 CA--C 1.532 1.153 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -97.54 172.25 7.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.308 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.6 m0 123.67 -49.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.969 1.707 . . . . 0.0 110.835 170.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.0 m -75.1 133.39 41.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.285 0.564 . . . . 0.0 111.159 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.34 152.45 38.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.56 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.43 -130.36 40.69 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.42 -0.809 . . . . 0.0 113.631 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -111.06 20.19 17.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.146 0.498 . . . . 0.0 109.817 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 35' ' ' CYS . 4.6 mp -54.1 143.52 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.025 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -110.67 128.39 55.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.681 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.13 106.98 16.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.176 0.512 . . . . 0.0 110.553 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -134.95 132.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.208 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 t 55.92 39.42 30.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.416 0.627 . . . . 0.0 110.32 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m120 61.65 26.82 16.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.782 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -140.09 136.25 33.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.188 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.48 ' HB3' HD23 ' A' ' 28' ' ' LEU . 1.5 m -96.05 141.14 29.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.593 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.596 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.953 0.406 . . . . 0.0 109.978 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.449 HG13 ' SG ' ' A' ' 35' ' ' CYS . 11.7 p -85.42 142.06 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.37 0.605 . . . . 0.0 111.235 -172.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 p -88.3 171.64 10.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.832 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -61.81 137.54 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.494 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.65 -19.03 55.19 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.209 174.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -87.61 152.14 22.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.999 0.428 . . . . 0.0 110.439 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -69.33 133.28 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.829 -175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -112.38 134.53 53.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.022 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.83 151.75 46.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.537 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 p -44.8 123.47 4.86 Favored Pre-proline 0 N--CA 1.461 0.112 0 O-C-N 123.568 0.542 . . . . 0.0 111.903 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.96 -39.41 14.11 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 123.257 2.638 . . . . 0.0 114.528 -164.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.52 -23.09 64.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -165.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.5 m -84.1 -21.79 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.0 p80 -125.98 -30.0 3.02 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.2 -37.12 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.383 0.913 . . . . 0.0 115.383 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -101.44 139.52 36.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.364 0.582 . . . . 0.0 110.021 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.82 -47.93 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.091 175.297 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -78.3 141.55 38.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.066 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.44 146.51 26.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.71 -142.65 32.55 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.416 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -80.76 3.64 21.67 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.09 144.92 55.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.65 139.6 53.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.306 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.4 t -78.64 99.82 6.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.252 0.549 . . . . 0.0 109.645 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.19 133.4 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.444 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m 58.84 33.01 22.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 63.02 24.53 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.961 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 p -139.28 141.08 37.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.535 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.449 ' SG ' HG13 ' A' ' 8' ' ' VAL . 76.8 m -90.98 128.61 36.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.751 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.451 -178.865 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.3 p . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.59 HG13 ' SG ' ' A' ' 24' ' ' CYS . 5.2 p -82.94 126.09 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.412 0.625 . . . . 0.0 110.433 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -81.37 171.67 14.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.482 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.24 130.63 47.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.639 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.95 -20.15 50.5 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.105 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -86.06 162.31 18.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.869 0.366 . . . . 0.0 111.173 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.58 119.95 9.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.897 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.29 130.82 52.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.91 157.25 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -43.83 118.56 2.93 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 121.762 0.792 . . . . 0.0 112.593 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.49 -37.54 12.88 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.449 2.766 . . . . 0.0 113.85 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.64 -29.45 70.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -169.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -89.33 0.29 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.436 ' C ' ' H ' ' A' ' 22' ' ' ASP . 41.9 m80 -126.22 -30.91 2.86 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.749 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.37 -35.26 0.12 Allowed Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.639 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 20' ' ' HIS . 30.8 t70 -101.84 128.99 47.96 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.477 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 1.3 p-90 -158.88 -94.96 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.59 ' SG ' HG13 ' A' ' 8' ' ' VAL . 86.6 m -81.61 153.89 26.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.608 . . . . 0.0 112.323 -173.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m -67.57 134.69 51.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.11 -132.41 48.77 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.415 -0.812 . . . . 0.0 114.136 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 m -96.56 19.33 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 111.61 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.6 144.35 37.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 51.1 mttp -114.46 140.89 48.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.86 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 t -93.33 109.52 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -173.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.47 128.87 52.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.47 34.35 24.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.375 0.607 . . . . 0.0 110.19 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.09 28.52 18.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.359 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 p -138.11 133.02 32.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.859 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.4 m -91.1 149.84 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.039 0.447 . . . . 0.0 112.067 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 36' ' ' ARG . 5.2 ptp180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.157 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p . . . . . 0 N--CA 1.449 -0.478 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.703 HG13 ' SG ' ' A' ' 24' ' ' CYS . 2.6 p -85.07 130.26 36.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.29 0.567 . . . . 0.0 111.071 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.5 p -89.95 172.21 9.02 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.829 -175.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.7 ttt180 -58.8 132.91 55.31 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.141 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.36 -8.66 75.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 113.123 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -97.58 161.18 13.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.837 0.351 . . . . 0.0 110.672 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.17 124.88 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.169 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.2 t -102.88 120.56 40.83 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.055 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.36 141.86 33.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.629 ' O ' HG22 ' A' ' 19' ' ' VAL . 12.4 p -41.06 117.41 1.53 Allowed Pre-proline 0 N--CA 1.463 0.183 0 O-C-N 124.029 0.831 . . . . 0.0 112.482 -172.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 51.8 Cg_exo -55.32 -33.34 84.79 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 123.539 2.826 . . . . 0.0 113.136 -173.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.81 -24.22 63.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 16' ' ' THR . 32.9 m -82.54 -23.87 8.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.481 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.96 -28.13 3.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.75 -32.39 1.03 Allowed Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.441 -0.409 . . . . 0.0 113.288 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.91 121.99 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.514 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -151.58 -95.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.006 -0.434 . . . . 0.0 111.841 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.703 ' SG ' HG13 ' A' ' 8' ' ' VAL . 72.9 m -82.63 149.88 27.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.047 0.451 . . . . 0.0 112.095 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.08 160.45 14.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.342 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.8 -145.31 36.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.492 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -97.12 19.37 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD21 ' N ' ' A' ' 10' ' ' ARG . 4.1 mp -65.47 145.66 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.754 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 59.9 mtpt -120.18 136.74 54.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -80.21 97.26 6.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.5 t -116.41 117.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.067 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 t 58.1 38.92 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.47 0.652 . . . . 0.0 110.204 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 61.79 26.85 16.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.462 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -137.55 131.0 31.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.3 m -92.28 141.99 27.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.42 0.629 . . . . 0.0 112.472 -176.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 11.3 ptp180 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.606 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.531 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 24.4 p . . . . . 0 N--CA 1.453 -0.299 0 CA-C-O 121.079 0.466 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.435 HG22 HD22 ' A' ' 12' ' ' ASN . 3.2 p -86.52 147.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.097 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -82.75 171.0 14.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.068 0.461 . . . . 0.0 112.151 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 61.7 ttp180 -61.46 137.69 58.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.677 -176.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.04 -17.58 53.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.737 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.435 HD22 HG22 ' A' ' 8' ' ' VAL . 75.5 m-20 -88.57 161.71 16.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.414 0.625 . . . . 0.0 112.082 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -75.94 142.23 42.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.966 -174.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' HE1' ' A' ' 20' ' ' HIS . 42.8 t -132.55 121.2 22.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.757 174.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 168.5 10.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.545 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -39.99 115.84 1.14 Allowed Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.75 -30.29 41.52 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.014 2.476 . . . . 0.0 113.077 -171.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -52.34 -28.34 18.96 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.32 -23.32 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.44 ' HE1' ' SG ' ' A' ' 14' ' ' CYS . 12.0 p80 -126.6 -31.43 2.72 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.12 -36.34 0.06 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -100.35 144.91 28.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.592 0.696 . . . . 0.0 110.306 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.752 0.657 . . . . 0.0 110.257 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.1 m -77.0 141.96 40.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.732 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.531 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -85.69 156.96 20.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.733 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.6 -141.49 38.73 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.663 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -94.89 17.72 13.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.19 0.519 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 10' ' ' ARG . 4.5 mp -69.88 151.64 45.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.591 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.42 140.46 52.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 95.8 m -72.5 91.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.33 133.52 63.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.786 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t 58.86 32.4 22.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.503 0.668 . . . . 0.0 109.806 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.1 m120 60.5 26.18 15.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.257 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 p -140.44 147.17 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.51 127.95 36.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.7 ptm180 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.112 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -85.85 141.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -84.82 171.41 12.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.253 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' HD21 ' A' ' 28' ' ' LEU . 44.7 ttp180 -62.56 135.4 57.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.823 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.53 -19.35 52.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.963 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.16 161.49 18.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.16 0.505 . . . . 0.0 111.145 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.24 146.6 54.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.43 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 t -136.44 137.73 40.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.951 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.25 157.37 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.488 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.3 p -44.13 118.84 3.2 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.458 0.647 . . . . 0.0 112.145 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 32.3 Cg_exo -56.18 -34.65 93.81 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.665 2.91 . . . . 0.0 113.386 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -55.88 -33.29 64.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 16' ' ' THR . 35.4 m -84.15 -23.17 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 16.6 p80 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.31 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.519 0.968 . . . . 0.0 115.519 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.45 138.19 39.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.856 0.828 . . . . 0.0 110.138 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.521 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 177.88 -52.05 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.58 0.55 . . . . 0.0 111.03 175.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 55.3 m -72.97 130.13 39.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.61 155.2 28.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -176.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.0 -141.16 39.23 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.905 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 m -93.88 19.28 9.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.173 0.511 . . . . 0.0 110.72 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 10' ' ' ARG . 4.6 mp -72.14 156.53 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.199 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.514 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' HG3' ' A' ' 17' ' ' PRO . 48.8 t -78.05 102.65 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.125 0.488 . . . . 0.0 110.271 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.8 t -128.05 128.29 68.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.382 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m 55.94 39.41 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.09 0.471 . . . . 0.0 111.356 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m120 66.62 23.0 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.667 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 p -140.8 140.98 34.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.2 m -88.48 129.04 35.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.34 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.102 -177.221 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.45 -0.448 0 CA-C-O 120.848 0.356 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.434 HG13 ' SG ' ' A' ' 35' ' ' CYS . 13.8 p -85.55 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -90.22 165.48 13.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.382 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 40.1 ttm180 -61.87 129.13 39.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.985 -177.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.0 48.12 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.275 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -89.76 159.92 16.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.224 0.535 . . . . 0.0 111.376 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -75.77 134.67 40.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.067 -176.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.5 t -123.5 139.74 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.097 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 163.62 27.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 p -40.66 117.33 1.42 Allowed Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -175.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 25.9 Cg_exo -61.61 -40.77 44.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.46 2.773 . . . . 0.0 113.229 -172.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -66.37 -10.76 46.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.77 -29.53 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -127.66 -29.9 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.79 -36.14 0.1 Allowed Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.968 -0.56 . . . . 0.0 114.453 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.58 139.39 36.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.278 0.539 . . . . 0.0 109.849 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.91 -40.59 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.628 0.58 . . . . 0.0 111.322 175.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 10.9 m -78.22 148.79 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 0.0 112.122 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 62.5 m -72.99 130.83 41.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.259 176.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.23 -124.99 38.31 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.067 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.7 t -90.95 6.55 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.132 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.609 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 6.3 mp -69.85 154.61 41.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 175.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -137.85 140.39 40.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.811 0.339 . . . . 0.0 110.534 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.07 112.99 11.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.006 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.34 132.7 38.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.72 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t 58.08 35.19 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.458 0.647 . . . . 0.0 110.026 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.3 m120 63.91 19.32 11.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.919 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.6 p -130.34 145.18 51.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.175 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.609 ' SG ' ' HB3' ' A' ' 28' ' ' LEU . 32.0 t -94.65 139.79 30.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.065 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.7 m . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.668 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.5 128.82 38.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p -84.09 169.24 15.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -169.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.04 129.81 43.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.326 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.08 -12.92 68.41 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.936 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -90.31 161.59 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 111.247 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 57.3 t80 -70.93 137.96 49.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.678 -174.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -125.5 139.04 53.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.863 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.8 166.15 24.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.048 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 19' ' ' VAL . 16.7 p -40.77 119.76 1.67 Allowed Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 121.534 0.683 . . . . 0.0 112.349 -173.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 32.9 Cg_endo -62.85 -41.1 31.68 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 123.548 2.832 . . . . 0.0 113.741 -166.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.21 -32.33 73.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -169.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 16' ' ' THR . 35.8 m -76.09 -18.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -126.95 -32.02 2.58 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.284 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 -36.8 0.06 OUTLIER Glycine 0 CA--C 1.533 1.193 0 N-CA-C 115.499 0.96 . . . . 0.0 115.499 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -101.72 145.48 29.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.875 0.837 . . . . 0.0 110.039 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 173.62 -52.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.77 0.669 . . . . 0.0 110.417 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 4.8 m -78.62 147.19 33.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 167.73 11.69 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.626 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.16 -138.81 37.17 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.098 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -100.64 18.63 18.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -66.61 150.88 48.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.382 0.61 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -124.98 136.66 53.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.977 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 87.3 m -73.94 93.62 2.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 109.898 172.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.78 129.95 72.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t 56.81 33.71 23.5 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.005 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 28.3 m120 65.17 27.78 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.745 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.1 p -139.62 139.46 36.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.716 0.293 . . . . 0.0 110.705 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.668 ' SG ' HG13 ' A' ' 8' ' ' VAL . 88.3 m -79.54 119.68 22.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.92 178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.135 178.298 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.3 p . . . . . 0 N--CA 1.447 -0.578 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 24' ' ' CYS . 11.3 p -68.21 133.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.648 0.737 . . . . 0.0 111.404 -170.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -84.55 171.92 12.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.212 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.534 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 19.9 ttt180 -65.06 137.25 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.635 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.28 -19.29 54.58 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.72 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -88.21 160.93 17.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.322 0.582 . . . . 0.0 111.496 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.49 139.81 47.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.379 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 t -118.25 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.921 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 164.09 13.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -40.92 112.65 0.94 Allowed Pre-proline 0 N--CA 1.465 0.297 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.257 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 35.9 Cg_exo -59.1 -38.0 89.41 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.591 2.861 . . . . 0.0 113.53 -170.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.14 -22.18 66.89 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.4 t -79.78 -29.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.3 p80 -127.35 -30.68 2.6 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.3 -37.16 0.06 OUTLIER Glycine 0 CA--C 1.529 0.914 0 CA-C-N 115.454 -0.793 . . . . 0.0 114.975 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -102.02 138.71 38.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.492 0.646 . . . . 0.0 110.223 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.466 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -177.87 -55.46 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.403 0.439 . . . . 0.0 110.723 176.671 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.7 m -71.04 141.56 50.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.297 -177.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.91 161.59 18.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.24 -142.29 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.99 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.1 m -94.52 19.8 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.192 0.52 . . . . 0.0 110.732 -178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.412 HD23 ' HB3' ' A' ' 35' ' ' CYS . 3.8 mp -73.56 161.02 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.21 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -144.92 147.98 33.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.448 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.6 m -77.13 91.33 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.189 0.519 . . . . 0.0 110.742 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -106.68 120.8 58.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.395 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t 59.21 35.88 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.415 0.626 . . . . 0.0 109.386 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m120 60.23 30.98 20.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.416 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -137.39 134.46 35.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' SG ' HG13 ' A' ' 8' ' ' VAL . 69.4 m -78.78 121.73 25.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.307 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 6.6 ptp180 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.586 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 p . . . . . 0 C--O 1.233 0.221 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.583 HG13 ' SG ' ' A' ' 35' ' ' CYS . 3.2 p -86.45 131.23 35.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.386 0.612 . . . . 0.0 110.882 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -83.7 171.53 13.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.316 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.551 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 14.8 ttt180 -66.34 135.23 54.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.027 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -9.35 75.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.684 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -94.14 161.04 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 33' ' ' ASN . 44.1 t80 -73.83 135.37 43.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.727 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.47 142.4 50.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.07 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 p -42.77 123.72 3.02 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.47 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.69 -45.07 3.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 123.395 2.73 . . . . 0.0 114.428 -164.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.24 -29.87 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -166.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.84 -23.42 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -126.13 -30.87 2.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.279 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.58 -37.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.39 143.31 32.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.729 0.764 . . . . 0.0 110.33 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.8 -48.16 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.533 0.521 . . . . 0.0 111.044 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.4 m -78.15 144.51 36.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.5 m -63.29 137.19 58.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.073 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.25 -124.33 34.79 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.218 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -98.89 19.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.44 146.53 42.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.262 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -114.74 136.34 53.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.38 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.7 m -75.96 99.39 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 170.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.02 133.42 26.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.384 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t 59.8 32.94 21.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.877 -177.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.452 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 25.1 m120 62.56 26.15 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.665 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 p -140.65 144.39 35.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.69 0.281 . . . . 0.0 110.949 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.583 ' SG ' HG13 ' A' ' 8' ' ' VAL . 83.3 m -86.41 128.2 34.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.636 176.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.5 ptm180 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.072 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 p . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.21 135.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.408 0.623 . . . . 0.0 110.746 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -86.86 172.18 10.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.881 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 41.4 ttp180 -59.81 137.9 57.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.123 -176.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.53 -19.13 46.08 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.68 161.59 16.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.161 0.505 . . . . 0.0 111.0 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 63.3 t80 -63.4 124.72 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.51 -176.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.85 125.4 50.25 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.28 24.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 t -42.29 121.79 2.6 Favored Pre-proline 0 C--O 1.239 0.507 0 CA-C-O 121.957 0.884 . . . . 0.0 112.203 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 47.5 Cg_exo -55.86 -34.05 90.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.981 3.121 . . . . 0.0 113.41 -176.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.14 -24.81 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.895 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.86 -22.74 6.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -124.11 -30.34 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.286 -170.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.48 -36.67 0.1 OUTLIER Glycine 0 CA--C 1.528 0.849 0 CA-C-N 115.881 -0.6 . . . . 0.0 113.818 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.31 123.05 46.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 167.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.576 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -144.82 -83.78 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.716 -178.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.576 ' SG ' ' HE3' ' A' ' 23' ' ' TRP . 92.0 m -81.49 155.43 25.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 58.3 m -82.06 159.7 23.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.255 176.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.35 -138.8 49.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.495 -0.775 . . . . 0.0 114.054 171.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -100.87 19.85 16.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 110.36 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 5.0 mp -61.42 145.14 52.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.484 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -119.65 141.29 49.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.766 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.89 100.32 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 -175.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.57 126.76 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m 56.67 32.62 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.185 0.517 . . . . 0.0 110.495 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 19.7 m120 58.82 32.36 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.38 -176.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -140.27 135.77 32.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.237 171.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.27 146.92 24.3 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.47 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 15.5 ptm180 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.907 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.4 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.575 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.65 126.74 40.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.402 0.62 . . . . 0.0 110.468 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -86.31 171.57 11.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.298 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -55.47 131.88 47.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.772 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.2 -19.33 54.68 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.203 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -85.65 159.08 19.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 0.0 110.884 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -67.77 143.74 55.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.809 -176.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -133.11 140.93 47.9 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.918 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 161.26 28.1 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -45.52 118.59 4.09 Favored Pre-proline 0 CA--C 1.532 0.281 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -177.063 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 67.9 Cg_exo -49.8 -49.18 16.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.803 3.002 . . . . 0.0 113.94 -167.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.54 -8.42 51.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.781 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.3 t -85.45 -25.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.434 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . 0.433 ' ND1' ' HB2' ' A' ' 23' ' ' TRP . 13.2 p80 -127.36 -32.49 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -175.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.38 -38.36 0.05 OUTLIER Glycine 0 CA--C 1.532 1.1 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -104.47 145.56 30.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.468 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.433 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 169.7 -44.84 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.244 0.618 . . . . 0.0 110.83 176.35 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 m -78.02 141.14 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.251 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.0 m -64.82 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.498 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.73 -128.32 34.85 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.88 172.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -97.01 13.74 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 110.402 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -128.91 143.95 51.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 t -79.66 107.12 12.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.033 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.84 130.05 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.888 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t 57.4 37.94 28.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.284 0.564 . . . . 0.0 110.289 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m120 59.41 28.91 18.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.469 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -141.77 146.21 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.3 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.575 ' SG ' HG13 ' A' ' 8' ' ' VAL . 73.0 m -91.47 135.97 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.117 -178.841 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 31.1 p . . . . . 0 N--CA 1.445 -0.689 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.707 ' HB ' ' SG ' ' A' ' 24' ' ' CYS . 98.4 t -66.2 133.98 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.708 -176.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -93.66 171.23 9.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.808 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.403 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 60.7 ttp180 -63.64 130.44 44.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.817 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.29 -18.77 56.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.374 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASN . . . . . 0.422 HD22 HG13 ' A' ' 8' ' ' VAL . 59.6 t30 -87.21 153.66 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.345 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 33' ' ' ASN . 57.6 t80 -70.45 136.72 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.377 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -128.43 137.32 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.174 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.52 156.32 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 t -40.94 125.47 1.99 Allowed Pre-proline 0 N--CA 1.467 0.406 0 CA-C-O 121.922 0.868 . . . . 0.0 112.361 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 36.6 Cg_endo -66.6 -29.61 43.64 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.434 2.756 . . . . 0.0 113.053 -171.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.44 -21.54 66.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.8 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.6 -29.17 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -126.52 -31.34 2.75 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.215 -176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.55 -37.01 0.05 OUTLIER Glycine 0 CA--C 1.529 0.934 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.26 136.64 40.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 117.285 0.543 . . . . 0.0 110.258 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.613 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 177.08 -56.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.826 0.704 . . . . 0.0 110.455 176.403 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.707 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 84.0 m -79.56 148.68 31.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.26 0.552 . . . . 0.0 112.179 -175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 157.89 28.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.94 -141.05 47.19 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.363 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -98.28 18.16 17.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.431 . . . . 0.0 110.632 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.22 146.95 49.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.518 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -125.59 131.22 52.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.044 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 17' ' ' PRO . 57.5 m -73.85 94.09 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.253 0.549 . . . . 0.0 110.03 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -123.48 131.22 73.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.758 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t 59.56 32.66 21.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.483 0.658 . . . . 0.0 109.658 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 20.4 m120 63.75 21.65 12.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.778 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -136.94 141.46 42.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.014 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.26 140.49 30.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.238 0.542 . . . . 0.0 111.923 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 11.0 ptm180 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.78 179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.3 t70 . . . . . 0 N--CA 1.48 1.029 0 CA-C-O 120.672 0.272 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -132.62 174.87 9.84 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.5 t -127.76 74.35 78.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 121.366 0.603 . . . . 0.0 110.516 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -87.97 97.41 0.42 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 122.562 2.175 . . . . 0.0 112.062 179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 57.58 75.78 0.36 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.695 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -61.48 150.17 36.49 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.313 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 26.2 p -118.25 151.75 37.05 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.349 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.615 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -87.61 131.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.427 176.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -83.25 171.26 13.78 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 112.5 0.556 . . . . 0.0 112.5 -173.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.557 ' HB2' HD21 ' A' ' 28' ' ' LEU . 32.7 ttt180 -61.18 136.13 57.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.366 -176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.11 -9.33 70.08 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.857 177.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.8 m-80 -99.15 161.96 13.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.039 0.447 . . . . 0.0 110.758 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -78.21 139.9 38.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.906 -175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 42.9 t -126.17 143.69 51.04 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.118 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.45 161.68 28.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.847 176.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.9 p -42.03 128.97 2.64 Favored Pre-proline 0 C--O 1.235 0.308 0 CA-C-O 121.847 0.832 . . . . 0.0 112.727 -174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 39.4 Cg_endo -66.41 -43.59 7.87 Favored 'Trans proline' 0 CA--C 1.519 -0.236 0 C-N-CA 123.534 2.823 . . . . 0.0 113.696 -168.014 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -73.25 -6.48 46.22 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 111.925 0.343 . . . . 0.0 111.925 -168.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 92.7 t -85.1 -30.97 6.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.699 -0.4 . . . . 0.0 111.498 -178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.0 p80 -129.16 -29.23 2.28 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 112.328 0.492 . . . . 0.0 112.328 -177.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.77 -36.42 0.14 Allowed Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.666 -0.697 . . . . 0.0 114.792 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -101.59 141.03 35.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 117.3 0.55 . . . . 0.0 110.441 174.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.8 -42.34 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.496 0 O-C-N 123.738 0.649 . . . . 0.0 111.291 174.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 58.2 m -78.54 145.0 35.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.006 0.431 . . . . 0.0 111.123 -178.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 72.6 m -66.6 150.19 49.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.526 -0.761 . . . . 0.0 112.15 -179.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 62.19 -127.39 40.2 Favored Glycine 0 N--CA 1.448 -0.557 0 CA-C-N 115.514 -0.766 . . . . 0.0 113.244 174.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.2 t -105.54 19.5 20.47 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.295 0.569 . . . . 0.0 110.215 -177.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD21 ' HB2' ' A' ' 10' ' ' ARG . 2.5 mp -71.82 156.45 39.29 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.848 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -131.66 146.97 52.46 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.751 174.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.484 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 30.9 m -75.63 91.39 2.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.081 0.467 . . . . 0.0 109.798 176.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -118.73 127.71 75.65 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.867 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.0 t 58.07 35.45 25.17 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 121.857 0.837 . . . . 0.0 108.939 -172.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.94 27.15 16.49 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 114.542 -1.208 . . . . 0.0 111.568 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.6 m -136.08 142.26 44.31 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.333 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.615 ' SG ' HG13 ' A' ' 8' ' ' VAL . 74.6 m -87.05 127.05 35.12 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.913 0.387 . . . . 0.0 111.173 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 . . . . . 0 C--O 1.253 1.24 0 CA-C-O 117.799 -1.096 . . . . 0.0 108.864 177.975 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 121.015 0.436 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -102.78 -67.49 0.88 Allowed 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.162 -178.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.5 m 52.03 68.45 3.17 Favored Pre-proline 0 CA--C 1.537 0.455 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.084 -179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -85.96 118.56 1.75 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 122.221 1.947 . . . . 0.0 112.374 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -108.13 69.47 0.73 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -81.56 69.82 8.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.716 0.769 . . . . 0.0 109.648 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 14.7 p -151.23 142.24 23.05 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.929 179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 p -86.43 138.29 19.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.9 p -89.28 171.58 9.67 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -173.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -57.91 136.9 57.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.93 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 89.29 -6.52 83.36 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.766 175.419 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -91.36 158.1 16.73 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.951 0.405 . . . . 0.0 110.869 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -66.86 134.37 51.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.242 -0.89 . . . . 0.0 111.435 -175.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 43.4 t -126.46 121.6 32.84 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.217 177.687 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.41 155.98 40.0 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 175.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.4 p -39.71 121.99 1.47 Allowed Pre-proline 0 N--CA 1.466 0.326 0 O-C-N 123.758 0.661 . . . . 0.0 112.376 -172.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.515 ' HB3' ' HB3' ' A' ' 30' ' ' CYS . 48.4 Cg_endo -68.16 -41.07 7.7 Favored 'Trans proline' 0 C--N 1.34 0.102 0 C-N-CA 123.419 2.746 . . . . 0.0 114.748 -165.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -56.96 -33.48 67.09 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -164.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.4 m -75.8 -18.86 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 113.002 0.741 . . . . 0.0 113.002 -176.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -125.98 -30.6 2.96 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 120.129 -0.629 . . . . 0.0 112.387 -177.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.72 -35.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.916 0 N-CA-C 115.434 0.934 . . . . 0.0 115.434 179.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -101.49 140.63 35.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 117.896 0.848 . . . . 0.0 110.464 175.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER 170.0 -47.94 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.508 1.13 . . . . 0.0 109.944 171.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 49.9 m -71.61 134.44 46.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.218 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -81.3 166.8 20.18 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.297 -178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.84 -132.9 49.53 Favored Glycine 0 N--CA 1.451 -0.35 0 CA-C-N 115.914 -0.585 . . . . 0.0 112.691 178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -109.46 20.42 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.266 0.555 . . . . 0.0 109.513 177.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.65 148.53 38.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.018 -179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 51.4 mttp -111.44 142.06 44.18 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.363 175.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.515 ' HB3' ' HB3' ' A' ' 17' ' ' PRO . 53.0 t -86.93 97.48 10.71 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 178.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 10.2 p -134.51 133.28 54.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.697 -174.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.9 m 58.34 35.08 24.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.365 0.603 . . . . 0.0 110.622 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 23.6 m120 64.37 25.92 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.678 -1.146 . . . . 0.0 111.804 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 40.1 p -140.74 141.71 34.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.694 176.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 79.0 m -89.51 127.98 35.93 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 176.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 . . . . . 0 C--O 1.246 0.915 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.114 179.728 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.893 0.378 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 60.45 -176.84 0.11 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.873 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.9 t -157.4 138.19 9.31 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.58 177.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' HB3' ' HB ' ' A' ' 8' ' ' VAL . 73.4 Cg_endo -76.42 75.43 4.33 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.504 2.136 . . . . 0.0 113.067 -177.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 7.8 p-10 -73.74 109.09 6.97 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 175.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' HB3' ' O ' ' A' ' 5' ' ' ASP . 34.9 tt0 70.89 -64.57 0.37 Allowed 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.997 -172.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -150.04 146.7 27.12 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 176.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.599 HG13 ' SG ' ' A' ' 35' ' ' CYS . 9.9 p -87.24 137.01 21.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.291 0.567 . . . . 0.0 110.457 178.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.6 p -86.38 171.49 11.13 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -57.75 137.69 56.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.075 -0.966 . . . . 0.0 111.845 -178.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.29 -19.44 53.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 121.164 -0.541 . . . . 0.0 112.526 175.386 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -88.97 161.13 16.78 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.151 0.5 . . . . 0.0 110.963 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -73.11 144.41 46.99 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.218 -0.901 . . . . 0.0 111.582 -174.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.2 t -129.34 127.87 41.95 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.015 174.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.28 159.24 29.61 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 175.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.3 t -40.37 118.18 1.43 Allowed Pre-proline 0 N--CA 1.468 0.457 0 CA-C-O 121.998 0.904 . . . . 0.0 112.601 -172.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.88 -23.1 41.6 Favored 'Trans proline' 0 N--CA 1.463 -0.267 0 C-N-CA 123.195 2.597 . . . . 0.0 112.667 -173.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -58.47 -29.87 66.53 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.913 -173.052 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.5 m -93.96 -18.56 6.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -172.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.407 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 18.5 p80 -126.64 -30.07 2.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.963 -0.695 . . . . 0.0 112.505 -176.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.22 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.529 0.928 0 N-CA-C 115.215 0.846 . . . . 0.0 115.215 -178.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -101.64 139.97 36.57 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 117.547 0.674 . . . . 0.0 109.892 173.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.407 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.81 -48.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 123.599 0.562 . . . . 0.0 110.388 177.692 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 30.2 m -78.62 150.72 32.63 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.695 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 85.9 m -71.81 141.35 49.66 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.655 178.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.83 -136.22 41.12 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.795 -0.639 . . . . 0.0 113.423 173.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 29.0 t -92.84 18.88 8.29 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.995 0.426 . . . . 0.0 110.557 -177.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.41 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 5.3 mp -68.76 149.73 48.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 177.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -130.63 145.36 51.89 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 115.764 -0.653 . . . . 0.0 109.817 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.18 90.43 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.228 0.537 . . . . 0.0 110.008 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.6 t -110.65 124.75 67.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.483 -0.781 . . . . 0.0 109.081 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 35.9 t 60.05 34.78 21.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.708 0.766 . . . . 0.0 109.001 -174.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.9 m120 59.05 29.66 19.27 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 114.475 -1.239 . . . . 0.0 111.377 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 6.8 m -137.54 138.64 39.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.925 177.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.599 ' SG ' HG13 ' A' ' 8' ' ' VAL . 71.1 m -81.06 133.29 35.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.795 0.331 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 36' ' ' ARG . 1.4 ptm180 . . . . . 0 C--O 1.249 1.04 0 CA-C-O 117.733 -1.127 . . . . 0.0 109.421 178.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 . . . . . 0 N--CA 1.48 1.044 0 CA-C-O 120.809 0.338 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.407 ' HG3' HG22 ' A' ' 3' ' ' THR . 12.3 pt-20 -64.35 -31.34 72.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -177.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.407 HG22 ' HG3' ' A' ' 2' ' ' GLU . 4.1 t -135.31 91.53 18.87 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-O 121.279 0.561 . . . . 0.0 110.567 -179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -82.8 50.68 3.45 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.23 1.953 . . . . 0.0 111.242 176.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -77.51 12.04 1.77 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.464 -176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -81.26 53.68 2.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.547 0.689 . . . . 0.0 110.129 177.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 22.6 p -74.84 137.99 42.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.371 -0.831 . . . . 0.0 110.494 -176.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.7 p -86.32 144.5 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.793 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.4 p -85.85 167.33 15.26 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.797 -176.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 37.0 ttm180 -58.12 137.1 57.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.694 -178.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 96.54 1.06 60.63 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.006 175.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 55.8 m-80 -104.63 154.68 19.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.94 0.4 . . . . 0.0 110.543 178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -73.88 136.59 43.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.416 -0.811 . . . . 0.0 110.354 -179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.519 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 28.5 p -123.27 139.84 53.63 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.033 0.444 . . . . 0.0 110.229 178.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.73 157.67 37.63 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.534 176.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.2 p -41.44 118.65 1.81 Allowed Pre-proline 0 N--CA 1.464 0.226 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 -172.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -67.99 -26.09 37.68 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.845 2.363 . . . . 0.0 112.628 -173.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -62.5 -28.71 70.03 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.617 0.599 . . . . 0.0 112.617 -171.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -93.0 -21.06 6.25 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 N-CA-C 113.654 0.983 . . . . 0.0 113.654 -173.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -125.6 -27.81 3.36 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.583 -0.698 . . . . 0.0 112.225 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 67.94 -34.56 0.24 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -99.89 137.86 37.77 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 117.125 0.462 . . . . 0.0 110.356 176.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 174.98 -49.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 O-C-N 123.842 0.714 . . . . 0.0 109.994 176.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 34.8 m -77.47 138.17 39.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.134 179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.417 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.9 OUTLIER -81.5 150.31 28.31 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.939 0.399 . . . . 0.0 111.011 -178.616 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.68 -138.87 34.14 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.862 -0.608 . . . . 0.0 113.142 177.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 24.8 t -96.61 19.26 12.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.373 0.606 . . . . 0.0 110.109 -178.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 mp -65.87 152.16 45.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.918 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -131.27 145.54 51.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.69 178.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.4 m -77.1 100.51 5.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.983 0.42 . . . . 0.0 111.006 177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -118.87 123.39 71.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.549 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m 58.92 33.73 23.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.328 -174.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 14.6 m120 62.06 32.6 17.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.456 -179.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 37.7 m -137.03 136.46 38.46 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.021 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.519 ' SG ' ' HB3' ' A' ' 14' ' ' CYS . 81.6 m -83.74 130.87 34.95 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -177.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.9 ptm180 . . . . . 0 C--O 1.249 1.06 0 CA-C-O 118.237 -0.887 . . . . 0.0 109.52 175.648 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.714 0.292 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -150.95 -46.86 0.12 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.391 -178.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.8 p -129.24 81.47 70.32 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-O 120.808 0.337 . . . . 0.0 111.403 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_endo -87.34 61.58 3.86 Favored 'Trans proline' 0 N--CA 1.454 -0.814 0 C-N-CA 122.497 2.131 . . . . 0.0 111.511 177.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -84.88 47.4 1.39 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.156 -176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 59.25 43.08 17.44 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.503 -177.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.8 p -82.87 151.22 26.1 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.24 -178.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.8 p -86.33 129.79 37.68 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.371 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.8 p -82.31 171.42 14.25 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.506 -0.77 . . . . 0.0 112.461 -174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HB2' HD21 ' A' ' 28' ' ' LEU . 58.6 ttp180 -61.61 134.12 56.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.57 -176.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.44 -19.36 54.72 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.701 -0.681 . . . . 0.0 112.683 177.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 82.7 m-20 -89.86 161.36 16.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.315 0.579 . . . . 0.0 111.295 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -76.52 136.68 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.556 -174.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 38.2 t -116.5 134.74 54.5 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.822 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.06 168.77 11.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.28 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 p -38.93 118.58 1.11 Allowed Pre-proline 0 N--CA 1.467 0.379 0 CA-C-O 121.742 0.782 . . . . 0.0 112.472 -174.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.463 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 42.9 Cg_endo -67.05 -42.47 8.01 Favored 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 123.263 2.642 . . . . 0.0 113.527 -168.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -63.72 -31.64 72.87 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.451 0.537 . . . . 0.0 112.451 -168.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.23 -24.69 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 19.5 p80 -125.83 -31.32 2.93 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 120.154 -0.619 . . . . 0.0 112.409 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.5 -36.39 0.06 OUTLIER Glycine 0 CA--C 1.528 0.867 0 N-CA-C 115.39 0.916 . . . . 0.0 115.39 -178.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -100.56 139.28 36.45 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 117.68 0.74 . . . . 0.0 109.928 174.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.2 -45.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 O-C-N 123.531 0.519 . . . . 0.0 111.081 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 35.8 m -77.99 147.81 34.7 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.757 0.313 . . . . 0.0 110.759 -178.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 61.0 m -69.0 133.38 48.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.861 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.05 -133.0 43.13 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.744 -0.662 . . . . 0.0 114.354 171.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 33.1 t -82.95 8.36 12.87 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.999 0.428 . . . . 0.0 110.804 -174.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 10' ' ' ARG . 5.6 mp -71.55 146.57 48.39 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.209 177.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -132.33 143.56 49.95 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.815 177.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.467 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 61.8 m -70.99 93.72 1.02 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.028 0.442 . . . . 0.0 110.517 178.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 36' ' ' ARG . 7.6 p -121.69 128.52 75.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.648 179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 8.7 t 57.81 32.47 21.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.754 0.788 . . . . 0.0 109.13 -173.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.9 m120 59.1 27.84 16.93 Favored 'General case' 0 C--O 1.226 -0.132 0 CA-C-N 114.59 -1.186 . . . . 0.0 111.274 -177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 15.6 m -131.85 141.66 49.47 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.707 176.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.624 ' SG ' HG13 ' A' ' 8' ' ' VAL . 75.1 m -89.34 129.49 35.87 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 120.67 0.271 . . . . 0.0 111.11 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.483 ' CZ ' HG11 ' A' ' 31' ' ' VAL . 3.8 ppt_? . . . . . 0 C--O 1.248 1.0 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.357 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.483 1.194 0 CA-C-O 121.446 0.641 . . . . 0.0 110.078 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -98.6 -53.81 3.2 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.623 -178.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.5 t -164.97 74.73 1.46 Allowed Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.626 179.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 41.1 Cg_endo -67.66 120.01 7.03 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.009 1.806 . . . . 0.0 112.462 -176.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -82.45 -176.85 6.44 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.826 176.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 6' ' ' GLU . 1.3 pm0 -68.14 130.41 42.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.239 0.543 . . . . 0.0 110.331 -178.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.417 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 13.9 p -78.42 134.13 37.41 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.17 -178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.7 p -80.26 133.81 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.362 0.601 . . . . 0.0 110.411 -176.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 31.4 p -85.28 168.01 15.1 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.81 -176.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HA ' ' O ' ' A' ' 35' ' ' CYS . 41.0 ttm180 -60.74 128.75 38.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.557 -176.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.91 -19.1 50.81 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.688 -0.768 . . . . 0.0 113.133 176.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -85.7 161.28 19.28 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 117.036 0.418 . . . . 0.0 110.825 178.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -64.17 139.3 58.75 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.484 -0.78 . . . . 0.0 111.87 -174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.2 t -124.03 123.88 41.32 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.241 177.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.33 150.41 46.35 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 11.6 p -40.88 116.61 1.39 Allowed Pre-proline 0 N--CA 1.462 0.17 0 O-C-N 123.771 0.669 . . . . 0.0 111.93 -173.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 41.6 Cg_endo -66.4 -41.72 11.47 Favored 'Trans proline' 0 N--CA 1.464 -0.238 0 C-N-CA 123.189 2.593 . . . . 0.0 114.483 -164.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -58.64 -27.74 65.01 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.085 0.772 . . . . 0.0 113.085 -165.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.8 p -80.01 -22.54 11.78 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 N-CA-C 112.362 0.504 . . . . 0.0 112.362 -176.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -125.08 -29.68 3.29 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 121.771 -0.581 . . . . 0.0 112.017 -176.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.15 -34.81 0.11 Allowed Glycine 0 CA--C 1.526 0.768 0 N-CA-C 115.47 0.948 . . . . 0.0 115.47 177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -100.08 136.02 40.62 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 117.799 0.8 . . . . 0.0 110.6 177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.89 -50.24 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.863 0.727 . . . . 0.0 111.107 174.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.2 m -68.24 133.08 48.27 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.069 0.461 . . . . 0.0 110.899 -175.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.417 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 2.6 t -79.93 162.07 25.17 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.091 -178.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 60.37 -135.11 50.06 Favored Glycine 0 N--CA 1.448 -0.558 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.944 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.7 m -102.57 20.46 17.07 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.967 0.413 . . . . 0.0 110.483 -178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.12 162.56 26.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.65 -0.704 . . . . 0.0 112.181 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.4 mtmm -131.8 145.41 51.57 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.461 172.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 43.8 t -82.11 110.17 17.09 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.107 0.48 . . . . 0.0 110.25 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 59.2 t -128.54 125.83 64.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.111 -178.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.8 t 52.94 41.87 32.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.331 0.586 . . . . 0.0 110.762 179.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.6 m120 64.2 25.71 13.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.816 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 48.2 p -140.84 136.4 32.35 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.714 0.292 . . . . 0.0 110.242 173.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 10' ' ' ARG . 73.3 m -85.3 135.5 33.88 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.741 0.305 . . . . 0.0 110.404 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.0 ptm180 . . . . . 0 C--O 1.247 0.955 0 CA-C-O 118.737 -0.649 . . . . 0.0 109.781 -178.735 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 N--CA 1.479 0.991 0 CA-C-O 120.934 0.397 . . . . 0.0 110.749 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -90.92 -16.12 28.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.022 176.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.6 m 61.48 74.28 0.52 Allowed Pre-proline 0 CA--C 1.534 0.332 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.301 -177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 17.0 Cg_exo -67.48 86.64 0.34 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 122.497 2.131 . . . . 0.0 111.589 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -81.47 3.89 23.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.66 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -103.03 113.13 26.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.033 0.444 . . . . 0.0 110.129 -178.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 p -137.46 155.91 48.76 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.664 178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.524 HG13 ' SG ' ' A' ' 35' ' ' CYS . 5.9 p -86.19 126.81 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.477 0.656 . . . . 0.0 110.293 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 p -81.35 168.75 18.05 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.414 -173.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.532 ' HG2' ' HA ' ' A' ' 36' ' ' ARG . 3.2 tmm_? -56.69 126.93 28.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.047 -177.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.477 ' N ' ' HD2' ' A' ' 10' ' ' ARG . . . 96.74 -15.56 62.47 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.633 174.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -86.17 159.57 19.46 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 117.489 0.644 . . . . 0.0 111.439 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -63.69 135.53 56.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.766 -178.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.0 128.25 43.29 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.145 -176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -82.94 139.97 33.06 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 171.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.2 p -52.82 110.82 2.16 Favored Pre-proline 0 CA--C 1.528 0.105 0 CA-C-O 121.454 0.645 . . . . 0.0 112.591 -169.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -72.44 -14.21 27.88 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 124.013 3.142 . . . . 0.0 113.288 -175.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -50.31 -25.79 4.14 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -164.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.1 -28.84 42.5 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 O-C-N 121.932 -0.48 . . . . 0.0 111.329 -178.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.59 ' HE1' ' CD1' ' A' ' 23' ' ' TRP . 2.5 p80 -127.47 -27.46 2.89 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 111.914 0.338 . . . . 0.0 111.914 178.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 99.99 -29.81 11.38 Favored Glycine 0 CA--C 1.517 0.204 0 C-N-CA 121.578 -0.344 . . . . 0.0 113.513 174.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -96.42 148.77 22.45 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 119.388 -0.339 . . . . 0.0 110.816 -177.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.59 ' CD1' ' HE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 167.46 -47.59 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.746 0 O-C-N 124.407 1.067 . . . . 0.0 111.023 173.353 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 59.4 m -78.1 140.43 39.06 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.799 0.333 . . . . 0.0 110.741 -176.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 74.3 m -64.69 142.46 58.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.985 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.53 -129.08 39.29 Favored Glycine 0 N--CA 1.45 -0.407 0 CA-C-N 115.578 -0.737 . . . . 0.0 113.39 173.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.3 t -103.53 19.62 19.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.137 0.494 . . . . 0.0 110.308 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 mp -65.64 157.06 30.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.654 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -128.63 145.89 51.02 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.11 174.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.4 t -86.63 107.23 18.09 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.991 0.424 . . . . 0.0 110.562 -176.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 39.4 t -124.54 128.01 73.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.8 -178.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.04 35.61 26.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.384 0.611 . . . . 0.0 110.426 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.3 m120 64.31 29.6 13.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.458 -179.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.5 p -141.55 136.65 31.32 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.202 -0.296 . . . . 0.0 110.202 172.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.524 ' SG ' HG13 ' A' ' 8' ' ' VAL . 72.1 m -84.2 134.16 34.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.867 0.365 . . . . 0.0 110.959 -178.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.532 ' HA ' ' HG2' ' A' ' 10' ' ' ARG . 13.5 ptm180 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.146 -0.93 . . . . 0.0 109.896 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.484 1.229 0 CA-C-O 121.093 0.473 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -158.48 157.82 32.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.861 -0.609 . . . . 0.0 109.584 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.6 t -140.38 78.91 21.72 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-O 121.247 0.546 . . . . 0.0 110.514 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_exo -63.39 145.81 92.87 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.621 2.214 . . . . 0.0 111.847 179.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -81.46 169.51 17.07 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.066 -0.515 . . . . 0.0 109.871 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 69.75 123.19 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 124.032 0.833 . . . . 0.0 110.654 -178.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -69.23 138.59 54.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.302 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 13.3 p -78.65 128.68 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 121.447 0.641 . . . . 0.0 109.678 179.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 26.6 p -89.46 171.78 9.47 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.845 -175.022 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.511 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.9 ttp180 -53.62 132.74 41.14 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.16 -0.927 . . . . 0.0 112.037 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.39 -12.37 69.01 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.95 -0.643 . . . . 0.0 113.432 172.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -93.86 161.49 14.29 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 117.039 0.419 . . . . 0.0 111.432 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -61.01 133.24 55.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.167 -0.924 . . . . 0.0 112.304 -172.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 14.0 t -123.01 118.06 26.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.727 176.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.84 160.89 31.93 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 176.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.478 ' O ' HG22 ' A' ' 19' ' ' VAL . 6.3 p -39.46 112.91 0.8 Allowed Pre-proline 0 N--CA 1.468 0.448 0 CA-C-O 121.415 0.626 . . . . 0.0 112.231 -173.428 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_endo -66.13 -41.54 12.8 Favored 'Trans proline' 0 N--CA 1.464 -0.254 0 C-N-CA 123.156 2.571 . . . . 0.0 113.859 -165.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -61.32 -29.88 70.16 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -169.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.478 HG22 ' O ' ' A' ' 16' ' ' THR . 35.2 m -80.59 -16.34 12.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -126.1 -30.16 2.97 Favored 'General case' 0 N--CA 1.467 0.4 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.55 -32.38 0.13 Allowed Glycine 0 CA--C 1.532 1.153 0 N-CA-C 115.48 0.952 . . . . 0.0 115.48 177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -97.54 172.25 7.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 118.893 -0.575 . . . . 0.0 110.308 177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 44.6 m0 123.67 -49.54 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 125.969 1.707 . . . . 0.0 110.835 170.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 89.0 m -75.1 133.39 41.56 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.285 0.564 . . . . 0.0 111.159 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -75.34 152.45 38.13 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.56 -174.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 63.43 -130.36 40.69 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.42 -0.809 . . . . 0.0 113.631 175.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.1 t -111.06 20.19 17.69 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.146 0.498 . . . . 0.0 109.817 -177.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.48 HD23 ' HB3' ' A' ' 35' ' ' CYS . 4.6 mp -54.1 143.52 22.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.025 -177.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -110.67 128.39 55.68 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.681 177.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.4 t -84.13 106.98 16.19 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.176 0.512 . . . . 0.0 110.553 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.8 p -134.95 132.23 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.208 -178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.3 t 55.92 39.42 30.59 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.416 0.627 . . . . 0.0 110.32 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 24.5 m120 61.65 26.82 16.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.07 -0.968 . . . . 0.0 111.782 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 m -140.09 136.25 33.4 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.188 175.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.48 ' HB3' HD23 ' A' ' 28' ' ' LEU . 1.5 m -96.05 141.14 29.81 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-O 121.061 0.458 . . . . 0.0 111.241 178.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.593 ' HD3' ' O ' ' A' ' 36' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.081 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.596 -176.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.448 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 10.1 t70 . . . . . 0 N--CA 1.478 0.936 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.448 ' H ' ' CG ' ' A' ' 1' ' ' ASP . 39.7 tt0 -58.26 -47.58 83.14 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 122.764 0.426 . . . . 0.0 111.981 -174.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 t -112.73 94.79 30.2 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-O 121.187 0.518 . . . . 0.0 110.624 177.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -85.43 47.16 1.92 Allowed 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 122.665 2.244 . . . . 0.0 112.256 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -72.13 166.63 21.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.128 -179.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -77.19 81.37 3.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.973 -176.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 20.5 p -59.55 131.04 49.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.978 177.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG13 ' SG ' ' A' ' 35' ' ' CYS . 11.7 p -85.42 142.06 13.71 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.37 0.605 . . . . 0.0 111.235 -172.284 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.7 p -88.3 171.64 10.02 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.832 -178.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -61.81 137.54 58.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.494 -177.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.65 -19.03 55.19 Favored Glycine 0 N--CA 1.454 -0.157 0 C-N-CA 120.477 -0.868 . . . . 0.0 113.209 174.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -87.61 152.14 22.41 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.999 0.428 . . . . 0.0 110.439 178.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -69.33 133.28 47.65 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.829 -175.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.9 t -112.38 134.53 53.87 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.022 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.83 151.75 46.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.537 176.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.6 p -44.8 123.47 4.86 Favored Pre-proline 0 N--CA 1.461 0.112 0 O-C-N 123.568 0.542 . . . . 0.0 111.903 -173.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -66.96 -39.41 14.11 Favored 'Trans proline' 0 N--CA 1.466 -0.11 0 C-N-CA 123.257 2.638 . . . . 0.0 114.528 -164.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -60.52 -23.09 64.29 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -165.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.5 m -84.1 -21.79 8.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 -177.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.426 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.0 p80 -125.98 -30.0 3.02 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 112.573 0.583 . . . . 0.0 112.573 -176.034 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.2 -37.12 0.06 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.383 0.913 . . . . 0.0 115.383 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -101.44 139.52 36.99 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 117.364 0.582 . . . . 0.0 110.021 174.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.426 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -179.82 -47.93 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.89 0.376 . . . . 0.0 111.091 175.297 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 13.8 m -78.3 141.55 38.4 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.066 -178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.44 146.51 26.93 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.013 0.435 . . . . 0.0 111.277 -176.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.71 -142.65 32.55 Favored Glycine 0 N--CA 1.451 -0.347 0 CA-C-N 115.639 -0.71 . . . . 0.0 113.416 175.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 t -80.76 3.64 21.67 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 120.929 0.395 . . . . 0.0 110.891 -177.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 mp -67.09 144.92 55.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.97 179.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -122.65 139.6 53.76 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.527 -0.761 . . . . 0.0 109.306 176.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 49.4 t -78.64 99.82 6.74 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.252 0.549 . . . . 0.0 109.645 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.19 133.4 47.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.444 -176.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.8 m 58.84 33.01 22.78 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.349 -178.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 20.0 m120 63.02 24.53 14.58 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.058 -0.974 . . . . 0.0 111.961 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.5 p -139.28 141.08 37.78 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.535 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.449 ' SG ' HG13 ' A' ' 8' ' ' VAL . 76.8 m -90.98 128.61 36.87 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.751 178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 . . . . . 0 C--O 1.248 0.984 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.451 -178.865 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 . . . . . 0 N--CA 1.481 1.12 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' HG3' HG22 ' A' ' 3' ' ' THR . 8.8 pt-20 -104.18 -29.62 10.72 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -174.229 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.451 HG22 ' HG3' ' A' ' 2' ' ' GLU . 3.3 t -163.82 110.89 0.95 Allowed Pre-proline 0 C--N 1.327 -0.409 0 CA-C-O 121.168 0.508 . . . . 0.0 111.62 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -87.34 52.62 2.45 Favored 'Trans proline' 0 N--CA 1.458 -0.576 0 C-N-CA 122.653 2.236 . . . . 0.0 111.318 173.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 56.74 45.8 21.18 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.267 -173.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -131.69 148.24 52.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.69 -177.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 30.3 p -118.73 140.99 49.04 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 176.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.59 HG13 ' SG ' ' A' ' 24' ' ' CYS . 5.2 p -82.94 126.09 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-O 121.412 0.625 . . . . 0.0 110.433 179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.2 p -81.37 171.67 14.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.007 -0.997 . . . . 0.0 112.482 -175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -58.24 130.63 47.56 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.639 -178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.95 -20.15 50.5 Favored Glycine 0 N--CA 1.452 -0.293 0 CA-C-N 115.719 -0.673 . . . . 0.0 113.105 176.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -86.06 162.31 18.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.869 0.366 . . . . 0.0 111.173 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -60.58 119.95 9.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.897 -174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 8.6 t -104.29 130.82 52.1 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.077 177.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.91 157.25 16.88 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 175.412 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -43.83 118.56 2.93 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-O 121.762 0.792 . . . . 0.0 112.593 -177.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -68.49 -37.54 12.88 Favored 'Trans proline' 0 N--CA 1.461 -0.39 0 C-N-CA 123.449 2.766 . . . . 0.0 113.85 -174.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -62.64 -29.45 70.63 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -169.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.4 m -89.33 0.29 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.436 ' C ' ' H ' ' A' ' 22' ' ' ASP . 41.9 m80 -126.22 -30.91 2.86 Favored 'General case' 0 N--CA 1.463 0.223 0 C-N-CA 120.571 -0.451 . . . . 0.0 111.749 -179.327 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 65.37 -35.26 0.12 Allowed Glycine 0 CA--C 1.526 0.759 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.639 -175.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.436 ' H ' ' C ' ' A' ' 20' ' ' HIS . 30.8 t70 -101.84 128.99 47.96 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 171.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.477 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 1.3 p-90 -158.88 -94.96 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -176.548 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.59 ' SG ' HG13 ' A' ' 8' ' ' VAL . 86.6 m -81.61 153.89 26.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.378 0.608 . . . . 0.0 112.323 -173.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 56.3 m -67.57 134.69 51.69 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.192 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 55.11 -132.41 48.77 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.415 -0.812 . . . . 0.0 114.136 175.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.1 m -96.56 19.33 12.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 111.61 -173.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.0 mp -57.6 144.35 37.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.159 178.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.512 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 51.1 mttp -114.46 140.89 48.34 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.86 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.2 t -93.33 109.52 21.07 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.091 0.472 . . . . 0.0 111.034 -173.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.8 p -134.47 128.87 52.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.435 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 23.3 t 57.47 34.35 24.5 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.375 0.607 . . . . 0.0 110.19 -176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 18.4 m120 60.09 28.52 18.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 114.963 -1.017 . . . . 0.0 111.359 -178.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.5 p -138.11 133.02 32.9 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.859 172.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.4 m -91.1 149.84 21.65 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-O 121.039 0.447 . . . . 0.0 112.067 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.435 HH11 ' HD2' ' A' ' 36' ' ' ARG . 5.2 ptp180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 117.907 -1.044 . . . . 0.0 109.157 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . 0.519 ' OD1' ' HG2' ' A' ' 4' ' ' PRO . 5.3 p-10 . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -57.2 -29.77 63.98 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 -174.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.588 ' HB ' ' CD ' ' A' ' 4' ' ' PRO . 38.3 m -137.31 -67.1 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.493 0 C-N-CA 120.099 -0.64 . . . . 0.0 112.003 179.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.588 ' CD ' ' HB ' ' A' ' 3' ' ' THR . 39.0 Cg_endo -68.45 166.3 26.08 Favored 'Trans proline' 0 C--N 1.355 0.881 0 C-N-CA 121.541 1.494 . . . . 0.0 112.022 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -91.93 53.49 2.2 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.605 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -108.62 142.71 38.67 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.051 176.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 25.0 p -104.15 154.15 20.08 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.612 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.703 HG13 ' SG ' ' A' ' 24' ' ' CYS . 2.6 p -85.07 130.26 36.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.29 0.567 . . . . 0.0 111.071 -175.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.5 p -89.95 172.21 9.02 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.829 -175.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.504 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 48.7 ttt180 -58.8 132.91 55.31 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.141 -178.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.36 -8.66 75.03 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.564 -0.827 . . . . 0.0 113.123 176.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -97.58 161.18 13.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.837 0.351 . . . . 0.0 110.672 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.17 124.88 22.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.169 -179.254 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 5.2 t -102.88 120.56 40.83 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.055 178.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.36 141.86 33.59 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 176.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.629 ' O ' HG22 ' A' ' 19' ' ' VAL . 12.4 p -41.06 117.41 1.53 Allowed Pre-proline 0 N--CA 1.463 0.183 0 O-C-N 124.029 0.831 . . . . 0.0 112.482 -172.654 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.513 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 51.8 Cg_exo -55.32 -33.34 84.79 Favored 'Trans proline' 0 N--CA 1.466 -0.141 0 C-N-CA 123.539 2.826 . . . . 0.0 113.136 -173.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -69.81 -24.22 63.44 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -170.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 16' ' ' THR . 32.9 m -82.54 -23.87 8.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 120.241 -0.584 . . . . 0.0 112.481 -175.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -125.96 -28.13 3.22 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 -176.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.75 -32.39 1.03 Allowed Glycine 0 CA--C 1.523 0.532 0 C-N-CA 121.441 -0.409 . . . . 0.0 113.288 -177.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -98.91 121.99 41.59 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 172.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.514 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -151.58 -95.46 0.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.006 -0.434 . . . . 0.0 111.841 -178.623 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.703 ' SG ' HG13 ' A' ' 8' ' ' VAL . 72.9 m -82.63 149.88 27.15 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.047 0.451 . . . . 0.0 112.095 -175.486 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.9 m -94.08 160.45 14.7 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.342 176.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.8 -145.31 36.57 Favored Glycine 0 N--CA 1.444 -0.768 0 CA-C-N 115.319 -0.855 . . . . 0.0 113.492 174.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.1 m -97.12 19.37 13.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.06 0.457 . . . . 0.0 110.698 -177.227 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD21 ' N ' ' A' ' 10' ' ' ARG . 4.1 mp -65.47 145.66 55.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.754 -178.032 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' O ' ' HA ' ' A' ' 35' ' ' CYS . 59.9 mtpt -120.18 136.74 54.52 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.761 176.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.6 t -80.21 97.26 6.86 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.964 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.5 t -116.41 117.54 55.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.067 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.6 t 58.1 38.92 26.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.47 0.652 . . . . 0.0 110.204 -178.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.1 m120 61.79 26.85 16.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.133 -0.939 . . . . 0.0 111.462 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.7 m -137.55 131.0 31.06 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 175.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 29' ' ' LYS . 1.3 m -92.28 141.99 27.95 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.42 0.629 . . . . 0.0 112.472 -176.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.504 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 11.3 ptp180 . . . . . 0 C--O 1.251 1.146 0 CA-C-N 114.467 -1.242 . . . . 0.0 109.606 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 121.064 0.459 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -145.72 -47.55 0.21 Allowed 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.577 179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 p -115.86 152.33 47.36 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.716 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.02 95.75 0.25 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.286 1.991 . . . . 0.0 111.838 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -74.02 -159.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.958 -177.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -74.14 -3.02 27.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.354 0.597 . . . . 0.0 109.711 173.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.531 ' HB2' ' CA ' ' A' ' 25' ' ' CYS . 24.4 p -59.24 130.31 46.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.974 178.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.435 HG22 HD22 ' A' ' 12' ' ' ASN . 3.2 p -86.52 147.96 5.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.097 -179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.2 p -82.75 171.0 14.45 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.068 0.461 . . . . 0.0 112.151 -177.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.464 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 61.7 ttp180 -61.46 137.69 58.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.677 -176.021 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.04 -17.58 53.92 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.737 176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.435 HD22 HG22 ' A' ' 8' ' ' VAL . 75.5 m-20 -88.57 161.71 16.79 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.414 0.625 . . . . 0.0 112.082 -177.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 69.8 t80 -75.94 142.23 42.06 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.475 -1.238 . . . . 0.0 111.966 -174.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' HE1' ' A' ' 20' ' ' HIS . 42.8 t -132.55 121.2 22.9 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.757 174.1 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.42 168.5 10.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.545 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 4.7 p -39.99 115.84 1.14 Allowed Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -172.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.75 -30.29 41.52 Favored 'Trans proline' 0 N--CA 1.461 -0.41 0 C-N-CA 123.014 2.476 . . . . 0.0 113.077 -171.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -52.34 -28.34 18.96 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -170.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.3 m -90.32 -23.32 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -174.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.44 ' HE1' ' SG ' ' A' ' 14' ' ' CYS . 12.0 p80 -126.6 -31.43 2.72 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.54 0.57 . . . . 0.0 112.54 -175.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.12 -36.34 0.06 OUTLIER Glycine 0 CA--C 1.527 0.807 0 N-CA-C 115.333 0.893 . . . . 0.0 115.333 -178.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -100.35 144.91 28.79 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.592 0.696 . . . . 0.0 110.306 177.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.95 -45.3 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 O-C-N 123.752 0.657 . . . . 0.0 110.257 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 31.1 m -77.0 141.96 40.14 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.732 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.531 ' CA ' ' HB2' ' A' ' 7' ' ' CYS . 0.6 OUTLIER -85.69 156.96 20.44 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.733 179.898 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.6 -141.49 38.73 Favored Glycine 0 N--CA 1.446 -0.691 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.663 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.0 p -94.89 17.72 13.23 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.19 0.519 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.442 HD21 ' HB2' ' A' ' 10' ' ' ARG . 4.5 mp -69.88 151.64 45.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.591 179.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 82.9 mttt -124.42 140.46 52.93 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.478 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 95.8 m -72.5 91.34 1.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 11.2 p -130.33 133.52 63.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.786 -178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 46.6 t 58.86 32.4 22.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.503 0.668 . . . . 0.0 109.806 -175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.1 m120 60.5 26.18 15.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.257 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 p -140.44 147.17 39.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.42 178.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 97.1 m -90.51 127.95 36.4 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.464 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.7 ptm180 . . . . . 0 C--O 1.246 0.901 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.112 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 34.7 t70 . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.056 0.455 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.472 ' O ' ' HB ' ' A' ' 3' ' ' THR . 39.8 mt-10 -129.14 -1.6 5.14 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.192 0.52 . . . . 0.0 110.28 179.062 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 2' ' ' GLU . 5.1 t 172.85 -179.24 0.1 OUTLIER Pre-proline 0 C--N 1.322 -0.6 0 N-CA-C 105.988 -1.856 . . . . 0.0 105.988 -173.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' A' ' 3' ' ' THR . 36.7 Cg_exo -62.83 60.73 0.15 Allowed 'Trans proline' 0 C--N 1.353 0.791 0 CA-C-N 121.591 1.604 . . . . 0.0 111.862 165.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -90.58 -175.18 4.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.176 -178.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -134.56 85.15 2.16 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.569 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 p -85.25 127.76 34.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.087 0.47 . . . . 0.0 110.016 178.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 10.6 p -85.85 141.66 14.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.737 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.8 p -84.82 171.41 12.28 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.253 -177.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.447 ' N ' HD21 ' A' ' 28' ' ' LEU . 44.7 ttp180 -62.56 135.4 57.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.823 -175.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 100.53 -19.35 52.91 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.963 174.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -87.16 161.49 18.05 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.16 0.505 . . . . 0.0 111.145 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 73.2 t80 -67.24 146.6 54.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.43 -177.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 24.0 t -136.44 137.73 40.74 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.951 178.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.25 157.37 30.85 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.488 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.3 p -44.13 118.84 3.2 Favored Pre-proline 0 C--O 1.233 0.232 0 CA-C-O 121.458 0.647 . . . . 0.0 112.145 -177.49 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HG3' ' SG ' ' A' ' 30' ' ' CYS . 32.3 Cg_exo -56.18 -34.65 93.81 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.665 2.91 . . . . 0.0 113.386 -171.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -55.88 -33.29 64.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -171.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 16' ' ' THR . 35.4 m -84.15 -23.17 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.521 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 16.6 p80 -126.11 -30.98 2.89 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -174.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.31 -36.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.075 0 N-CA-C 115.519 0.968 . . . . 0.0 115.519 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -102.45 138.19 39.7 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 117.856 0.828 . . . . 0.0 110.138 174.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.521 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 177.88 -52.05 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.513 0 O-C-N 123.58 0.55 . . . . 0.0 111.03 175.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.443 ' SG ' ' HB2' ' A' ' 30' ' ' CYS . 55.3 m -72.97 130.13 39.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.896 0.379 . . . . 0.0 110.573 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 1.6 t -79.61 155.2 28.22 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.968 -176.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.0 -141.16 39.23 Favored Glycine 0 N--CA 1.448 -0.522 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.905 177.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 m -93.88 19.28 9.12 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.173 0.511 . . . . 0.0 110.72 -177.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.447 HD21 ' N ' ' A' ' 10' ' ' ARG . 4.6 mp -72.14 156.53 39.08 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.199 -179.313 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -130.33 135.9 48.55 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.481 -0.782 . . . . 0.0 109.514 175.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.496 ' SG ' ' HG3' ' A' ' 17' ' ' PRO . 48.8 t -78.05 102.65 7.54 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.125 0.488 . . . . 0.0 110.271 -177.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 51.8 t -128.05 128.29 68.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.382 -176.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 56.5 m 55.94 39.41 30.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.09 0.471 . . . . 0.0 111.356 178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.5 m120 66.62 23.0 10.39 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.667 178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.2 p -140.8 140.98 34.81 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.84 0.352 . . . . 0.0 110.8 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 78.2 m -88.48 129.04 35.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.34 177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.102 -177.221 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 121.008 0.432 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -63.81 -63.8 1.07 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.618 179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.8 t -161.55 83.48 1.81 Allowed Pre-proline 0 C--N 1.321 -0.637 0 CA-C-O 121.517 0.675 . . . . 0.0 109.411 176.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.79 74.71 1.72 Allowed 'Trans proline' 0 C--N 1.347 0.474 0 C-N-CA 122.768 2.312 . . . . 0.0 112.596 -177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -83.05 52.06 2.09 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.004 177.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -134.13 145.34 49.21 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.625 179.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 p -147.41 155.02 41.56 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.349 -178.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.434 HG13 ' SG ' ' A' ' 35' ' ' CYS . 13.8 p -85.55 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.034 179.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 22.7 p -90.22 165.48 13.91 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.382 -179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.448 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 40.1 ttm180 -61.87 129.13 39.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.985 -177.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 102.96 -19.0 48.12 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.835 -0.698 . . . . 0.0 113.275 178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 75.7 m-20 -89.76 159.92 16.8 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.224 0.535 . . . . 0.0 111.376 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -75.77 134.67 40.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.067 -176.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 52.5 t -123.5 139.74 53.71 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.097 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.8 163.62 27.71 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.62 179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.489 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 p -40.66 117.33 1.42 Allowed Pre-proline 0 N--CA 1.466 0.368 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 -175.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 25.9 Cg_exo -61.61 -40.77 44.14 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 123.46 2.773 . . . . 0.0 113.229 -172.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -66.37 -10.76 46.52 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -173.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.77 -29.53 6.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -178.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -127.66 -29.9 2.59 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.685 0.624 . . . . 0.0 112.685 -175.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.79 -36.14 0.1 Allowed Glycine 0 CA--C 1.527 0.802 0 CA-C-N 115.968 -0.56 . . . . 0.0 114.453 -177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -100.58 139.39 36.32 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 117.278 0.539 . . . . 0.0 109.849 172.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.91 -40.59 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.628 0.58 . . . . 0.0 111.322 175.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.413 ' HB3' ' CB ' ' A' ' 28' ' ' LEU . 10.9 m -78.22 148.79 33.83 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 0.0 112.122 -178.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 62.5 m -72.99 130.83 41.23 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.259 176.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.23 -124.99 38.31 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.874 -0.603 . . . . 0.0 114.067 173.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.7 t -90.95 6.55 44.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.914 0.388 . . . . 0.0 111.132 -174.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.609 ' HB3' ' SG ' ' A' ' 35' ' ' CYS . 6.3 mp -69.85 154.61 41.74 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.081 175.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -137.85 140.39 40.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.811 0.339 . . . . 0.0 110.534 177.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 72.1 m -75.07 112.99 11.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.006 176.026 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.5 p -139.34 132.7 38.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.72 179.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.8 t 58.08 35.19 24.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.458 0.647 . . . . 0.0 110.026 -177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.3 m120 63.91 19.32 11.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 114.934 -1.03 . . . . 0.0 111.919 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.6 p -130.34 145.18 51.75 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.175 177.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.609 ' SG ' ' HB3' ' A' ' 28' ' ' LEU . 32.0 t -94.65 139.79 30.74 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 110.118 -0.326 . . . . 0.0 110.118 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.448 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.374 -0.822 . . . . 0.0 110.065 -177.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.0 t70 . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 120.784 0.326 . . . . 0.0 110.436 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -106.09 -39.32 6.01 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.194 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.6 p 46.59 66.98 4.83 Favored Pre-proline 0 N--CA 1.467 0.392 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.981 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 92.7 Cg_endo -85.62 58.92 4.82 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 122.25 1.967 . . . . 0.0 111.659 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -85.62 37.65 0.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.439 -177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -67.94 -40.55 83.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.207 0.527 . . . . 0.0 109.595 176.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 75.7 m -88.0 148.94 24.3 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.094 174.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.668 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.5 128.82 38.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 172.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 19.3 p -84.09 169.24 15.1 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -169.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -58.04 129.81 43.69 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.326 -177.583 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 94.08 -12.92 68.41 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.936 178.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -90.31 161.59 15.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 111.247 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.477 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 57.3 t80 -70.93 137.96 49.67 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.961 -1.018 . . . . 0.0 111.678 -174.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 40.6 t -125.5 139.04 53.96 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.863 174.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.8 166.15 24.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 119.003 -0.522 . . . . 0.0 110.048 177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 19' ' ' VAL . 16.7 p -40.77 119.76 1.67 Allowed Pre-proline 0 N--CA 1.469 0.519 0 CA-C-O 121.534 0.683 . . . . 0.0 112.349 -173.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.429 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 32.9 Cg_endo -62.85 -41.1 31.68 Favored 'Trans proline' 0 N--CA 1.466 -0.098 0 C-N-CA 123.548 2.832 . . . . 0.0 113.741 -166.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -65.21 -32.33 73.95 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.586 0.587 . . . . 0.0 112.586 -169.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 16' ' ' THR . 35.8 m -76.09 -18.4 15.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 112.716 0.636 . . . . 0.0 112.716 -172.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.6 p80 -126.95 -32.02 2.58 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 120.085 -0.646 . . . . 0.0 112.284 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.01 -36.8 0.06 OUTLIER Glycine 0 CA--C 1.533 1.193 0 N-CA-C 115.499 0.96 . . . . 0.0 115.499 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -101.72 145.48 29.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 117.875 0.837 . . . . 0.0 110.039 173.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 173.62 -52.1 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.77 0.669 . . . . 0.0 110.417 176.431 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 4.8 m -78.62 147.19 33.74 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -92.69 167.73 11.69 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.626 179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.16 -138.81 37.17 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.098 -179.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 16.5 m -100.64 18.63 18.77 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.008 0.432 . . . . 0.0 110.83 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.1 mp -66.61 150.88 48.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.382 0.61 . . . . 0.0 111.632 -177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -124.98 136.66 53.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.977 178.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.5 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 87.3 m -73.94 93.62 2.23 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.992 0.425 . . . . 0.0 109.898 172.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.78 129.95 72.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.262 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.7 t 56.81 33.71 23.5 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.005 -177.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.477 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 28.3 m120 65.17 27.78 12.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.745 -179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 56.1 p -139.62 139.46 36.73 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.716 0.293 . . . . 0.0 110.705 176.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.668 ' SG ' HG13 ' A' ' 8' ' ' VAL . 88.3 m -79.54 119.68 22.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.92 178.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--O 1.245 0.827 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.135 178.298 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 110.053 -0.351 . . . . 0.0 110.053 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -148.01 -48.04 0.16 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.578 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.5 m 61.07 76.88 0.39 Allowed Pre-proline 0 CA--C 1.536 0.434 0 O-C-N 123.348 0.405 . . . . 0.0 111.026 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -79.25 -168.65 0.66 Allowed 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 123.12 2.547 . . . . 0.0 112.208 178.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -144.99 150.7 37.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.415 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -80.75 -26.86 37.02 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.297 0.57 . . . . 0.0 110.237 177.151 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 6.3 p -134.69 127.0 30.19 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.184 -0.916 . . . . 0.0 108.691 176.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.43 ' CG1' ' HA ' ' A' ' 24' ' ' CYS . 11.3 p -68.21 133.22 32.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-O 121.648 0.737 . . . . 0.0 111.404 -170.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -84.55 171.92 12.08 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.847 -1.069 . . . . 0.0 112.212 -176.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.534 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 19.9 ttt180 -65.06 137.25 57.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.635 -173.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 99.28 -19.29 54.58 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.003 -0.618 . . . . 0.0 112.72 176.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -88.21 160.93 17.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.322 0.582 . . . . 0.0 111.496 -178.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -72.49 139.81 47.85 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.857 -1.065 . . . . 0.0 111.379 -175.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.8 t -118.25 130.69 56.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.921 176.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.23 164.09 13.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.496 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 0.6 OUTLIER -40.92 112.65 0.94 Allowed Pre-proline 0 N--CA 1.465 0.297 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -176.257 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.496 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 35.9 Cg_exo -59.1 -38.0 89.41 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 123.591 2.861 . . . . 0.0 113.53 -170.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -65.14 -22.18 66.89 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 111.625 0.231 . . . . 0.0 111.625 -173.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.4 t -79.78 -29.95 13.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 23' ' ' TRP . 12.3 p80 -127.35 -30.68 2.6 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -174.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.3 -37.16 0.06 OUTLIER Glycine 0 CA--C 1.529 0.914 0 CA-C-N 115.454 -0.793 . . . . 0.0 114.975 -176.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -102.02 138.71 38.62 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 117.492 0.646 . . . . 0.0 110.223 174.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.466 ' HB2' ' CE1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -177.87 -55.46 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.406 0 O-C-N 123.403 0.439 . . . . 0.0 110.723 176.671 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.7 m -71.04 141.56 50.91 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.297 -177.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.91 161.59 18.98 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.8 -179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 66.24 -142.29 42.6 Favored Glycine 0 N--CA 1.452 -0.296 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.99 178.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.1 m -94.52 19.8 9.28 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.192 0.52 . . . . 0.0 110.732 -178.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.412 HD23 ' HB3' ' A' ' 35' ' ' CYS . 3.8 mp -73.56 161.02 30.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.21 -178.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.9 pttt -144.92 147.98 33.36 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.448 174.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.47 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.6 m -77.13 91.33 3.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.189 0.519 . . . . 0.0 110.742 -176.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.5 t -106.68 120.8 58.49 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.395 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 28.0 t 59.21 35.88 23.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.415 0.626 . . . . 0.0 109.386 -176.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 19.5 m120 60.23 30.98 20.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.416 -177.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -137.39 134.46 35.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 175.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' SG ' HG13 ' A' ' 8' ' ' VAL . 69.4 m -78.78 121.73 25.14 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.307 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.534 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 6.6 ptp180 . . . . . 0 C--O 1.247 0.971 0 CA-C-O 118.532 -0.747 . . . . 0.0 110.586 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.856 0.36 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -158.34 -57.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.238 0.542 . . . . 0.0 109.81 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.1 t -156.64 71.12 4.85 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.378 179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -68.82 102.99 0.94 Allowed 'Trans proline' 0 N--CA 1.46 -0.476 0 C-N-CA 122.301 2.001 . . . . 0.0 111.75 -179.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -84.83 2.75 40.99 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.995 0.426 . . . . 0.0 110.528 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -78.6 -16.34 57.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.067 -178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 21.4 p -97.87 156.51 16.56 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.583 HG13 ' SG ' ' A' ' 35' ' ' CYS . 3.2 p -86.45 131.23 35.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.386 0.612 . . . . 0.0 110.882 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.8 p -83.7 171.53 13.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.371 -0.831 . . . . 0.0 112.316 -173.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.551 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 14.8 ttt180 -66.34 135.23 54.07 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.027 -173.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 92.57 -9.35 75.98 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.684 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -94.14 161.04 14.43 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.088 0.47 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.452 ' CE2' ' HB3' ' A' ' 33' ' ' ASN . 44.1 t80 -73.83 135.37 43.43 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.072 -0.967 . . . . 0.0 111.727 -174.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 39.3 t -121.47 142.4 50.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.709 174.012 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.33 168.67 18.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.07 177.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.6 p -42.77 123.72 3.02 Favored Pre-proline 0 N--CA 1.464 0.268 0 CA-C-O 121.258 0.552 . . . . 0.0 111.47 -178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -67.69 -45.07 3.61 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 123.395 2.73 . . . . 0.0 114.428 -164.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -62.24 -29.87 70.7 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -166.479 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 p -71.84 -23.42 22.16 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.489 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 p80 -126.13 -30.87 2.89 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 120.318 -0.553 . . . . 0.0 112.279 -177.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 62.58 -37.54 0.07 OUTLIER Glycine 0 CA--C 1.531 1.054 0 N-CA-C 115.392 0.917 . . . . 0.0 115.392 -179.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -103.39 143.31 32.86 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 117.729 0.764 . . . . 0.0 110.33 174.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 177.8 -48.16 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 O-C-N 123.533 0.521 . . . . 0.0 111.044 176.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 30' ' ' CYS . 33.4 m -78.15 144.51 36.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.131 -177.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 59.5 m -63.29 137.19 58.11 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.625 -0.716 . . . . 0.0 112.073 -179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.25 -124.33 34.79 Favored Glycine 0 N--CA 1.451 -0.337 0 CA-C-N 115.534 -0.757 . . . . 0.0 114.218 171.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.1 t -98.89 19.05 15.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 -174.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.7 mp -74.44 146.53 42.77 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.262 177.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.1 mtmm -114.74 136.34 53.18 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.38 -179.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.569 ' SG ' ' SG ' ' A' ' 24' ' ' CYS . 56.7 m -75.96 99.39 4.53 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 170.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.02 133.42 26.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.384 -179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 22.9 t 59.8 32.94 21.6 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.877 -177.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.452 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 25.1 m120 62.56 26.15 15.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.665 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.6 p -140.65 144.39 35.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 120.69 0.281 . . . . 0.0 110.949 178.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.583 ' SG ' HG13 ' A' ' 8' ' ' VAL . 83.3 m -86.41 128.2 34.92 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.636 176.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.551 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 9.5 ptm180 . . . . . 0 C--O 1.247 0.932 0 CA-C-O 118.289 -0.862 . . . . 0.0 110.072 177.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.75 0.31 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -81.83 -58.4 3.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.992 0.425 . . . . 0.0 110.859 -178.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.0 t -160.68 70.47 2.8 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.685 -178.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 21.8 Cg_exo -65.29 140.37 64.01 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.352 2.035 . . . . 0.0 111.036 177.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -100.65 174.49 6.04 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.957 0.408 . . . . 0.0 110.358 -177.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -101.55 128.14 47.93 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.944 -0.571 . . . . 0.0 109.715 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 11.0 p -94.21 155.49 17.02 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.317 -179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.1 p -85.21 135.0 25.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.408 0.623 . . . . 0.0 110.746 -178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.7 p -86.86 172.18 10.28 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.237 -0.892 . . . . 0.0 112.881 -174.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.47 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 41.4 ttp180 -59.81 137.9 57.93 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.248 -0.887 . . . . 0.0 112.123 -176.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 90.53 -19.13 46.08 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.65 -0.705 . . . . 0.0 112.397 176.19 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 83.4 m-20 -89.68 161.59 16.02 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.161 0.505 . . . . 0.0 111.0 -178.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' HA ' ' O ' ' A' ' 33' ' ' ASN . 63.3 t80 -63.4 124.72 22.02 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.89 -1.05 . . . . 0.0 111.51 -176.561 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.0 p -103.85 125.4 50.25 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 173.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -83.81 152.28 24.71 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 177.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.8 t -42.29 121.79 2.6 Favored Pre-proline 0 C--O 1.239 0.507 0 CA-C-O 121.957 0.884 . . . . 0.0 112.203 -178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 47.5 Cg_exo -55.86 -34.05 90.33 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 123.981 3.121 . . . . 0.0 113.41 -176.103 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -61.14 -24.81 66.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.895 -172.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.4 t -86.86 -22.74 6.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -174.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.7 m80 -124.11 -30.34 3.48 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.286 -170.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 64.48 -36.67 0.1 OUTLIER Glycine 0 CA--C 1.528 0.849 0 CA-C-N 115.881 -0.6 . . . . 0.0 113.818 -173.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -103.31 123.05 46.06 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 167.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.576 ' HE3' ' SG ' ' A' ' 24' ' ' CYS . 0.1 OUTLIER -144.82 -83.78 0.14 Allowed 'General case' 0 C--N 1.319 -0.732 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.716 -178.777 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.576 ' SG ' ' HE3' ' A' ' 23' ' ' TRP . 92.0 m -81.49 155.43 25.81 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 112.746 0.647 . . . . 0.0 112.746 -174.67 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 28' ' ' LEU . 58.3 m -82.06 159.7 23.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.255 176.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 59.35 -138.8 49.09 Favored Glycine 0 N--CA 1.45 -0.429 0 CA-C-N 115.495 -0.775 . . . . 0.0 114.054 171.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.9 m -100.87 19.85 16.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.065 0.459 . . . . 0.0 110.36 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 25' ' ' CYS . 5.0 mp -61.42 145.14 52.67 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.484 -178.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -119.65 141.29 49.47 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.766 175.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 42.2 t -83.89 100.32 10.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.107 0.48 . . . . 0.0 110.609 -175.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.57 126.76 73.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.472 -178.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.7 m 56.67 32.62 21.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.185 0.517 . . . . 0.0 110.495 -176.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 13' ' ' PHE . 19.7 m120 58.82 32.36 22.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.316 -0.856 . . . . 0.0 111.38 -176.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 p -140.27 135.77 32.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.237 171.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 1.1 m -96.27 146.92 24.3 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 112.908 0.707 . . . . 0.0 112.908 -175.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.47 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 15.5 ptm180 . . . . . 0 C--O 1.246 0.914 0 CA-C-N 114.455 -1.248 . . . . 0.0 108.907 176.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.867 0.365 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -173.6 -51.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.0 t -167.92 74.13 0.91 Allowed Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.865 178.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -83.18 31.29 0.52 Allowed 'Trans proline' 0 N--CA 1.46 -0.479 0 C-N-CA 122.314 2.009 . . . . 0.0 111.253 175.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -70.6 -10.92 60.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.014 -0.993 . . . . 0.0 111.745 -176.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.49 73.49 7.4 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.741 -0.836 . . . . 0.0 108.741 175.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.4 p -97.16 161.2 13.92 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.039 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.575 HG13 ' SG ' ' A' ' 35' ' ' CYS . 2.7 p -85.65 126.74 40.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.402 0.62 . . . . 0.0 110.468 179.356 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.9 p -86.31 171.57 11.11 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.298 -174.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 48.3 ttp180 -55.47 131.88 47.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.772 -177.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 95.2 -19.33 54.68 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.972 -0.633 . . . . 0.0 113.203 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 47.6 m-80 -85.65 159.08 19.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.996 0.427 . . . . 0.0 110.884 -178.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 40.4 t80 -67.77 143.74 55.71 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.809 -176.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 17.8 t -133.11 140.93 47.9 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 115.616 -0.72 . . . . 0.0 109.918 -178.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.46 161.26 28.1 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.444 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 1.0 OUTLIER -45.52 118.59 4.09 Favored Pre-proline 0 CA--C 1.532 0.281 0 N-CA-C 112.268 0.469 . . . . 0.0 112.268 -177.063 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 16' ' ' THR . 67.9 Cg_exo -49.8 -49.18 16.66 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 123.803 3.002 . . . . 0.0 113.94 -167.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -70.54 -8.42 51.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.781 -169.039 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.3 t -85.45 -25.94 6.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.434 -179.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.433 ' ND1' ' HB2' ' A' ' 23' ' ' TRP . 13.2 p80 -127.36 -32.49 2.44 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -175.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.38 -38.36 0.05 OUTLIER Glycine 0 CA--C 1.532 1.1 0 N-CA-C 115.278 0.871 . . . . 0.0 115.278 -178.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -104.47 145.56 30.1 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 118.865 -0.588 . . . . 0.0 109.468 169.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.433 ' HB2' ' ND1' ' A' ' 20' ' ' HIS . 0.0 OUTLIER 169.7 -44.84 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.244 0.618 . . . . 0.0 110.83 176.35 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 52.0 m -78.02 141.14 39.09 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.251 -175.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 86.0 m -64.82 140.14 58.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.606 -0.724 . . . . 0.0 112.498 -177.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 64.73 -128.32 34.85 Favored Glycine 0 N--CA 1.45 -0.373 0 CA-C-N 115.335 -0.848 . . . . 0.0 113.88 172.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 17.8 t -97.01 13.74 27.96 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.219 0.533 . . . . 0.0 110.402 -176.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 mp -69.15 154.25 42.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.738 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -128.91 143.95 51.04 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.686 177.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 31.2 t -79.66 107.12 12.19 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.033 -179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 62.0 t -132.84 130.05 58.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.888 -178.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 37.6 t 57.4 37.94 28.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.284 0.564 . . . . 0.0 110.289 179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 17.4 m120 59.41 28.91 18.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.469 -179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 27.8 p -141.77 146.21 35.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.3 175.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.575 ' SG ' HG13 ' A' ' 8' ' ' VAL . 73.0 m -91.47 135.97 33.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.801 0.334 . . . . 0.0 110.821 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 117.937 -1.03 . . . . 0.0 109.117 -178.841 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 121.11 0.481 . . . . 0.0 110.033 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -80.99 -51.16 8.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.477 -177.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 3' ' ' THR . 5.0 t -148.75 91.94 4.54 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.884 179.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -66.05 107.93 1.22 Allowed 'Trans proline' 0 C--N 1.347 0.48 0 C-N-CA 122.205 1.937 . . . . 0.0 112.49 -175.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -83.34 61.96 6.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.972 -179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -124.39 166.64 15.62 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.446 178.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.613 ' HA ' ' O ' ' A' ' 23' ' ' TRP . 31.1 p -92.03 123.21 35.22 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 173.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.707 ' HB ' ' SG ' ' A' ' 24' ' ' CYS . 98.4 t -66.2 133.98 30.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.708 -176.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.6 p -93.66 171.23 9.02 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.808 -178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.403 ' HG3' ' HA ' ' A' ' 36' ' ' ARG . 60.7 ttp180 -63.64 130.44 44.29 Favored 'General case' 0 N--CA 1.45 -0.467 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.817 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 98.29 -18.77 56.56 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.374 178.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . 0.422 HD22 HG13 ' A' ' 8' ' ' VAL . 59.6 t30 -87.21 153.66 21.32 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.073 0.463 . . . . 0.0 110.345 -178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 33' ' ' ASN . 57.6 t80 -70.45 136.72 49.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.377 -175.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.7 t -128.43 137.32 51.79 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.174 176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.52 156.32 39.56 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 175.369 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.2 t -40.94 125.47 1.99 Allowed Pre-proline 0 N--CA 1.467 0.406 0 CA-C-O 121.922 0.868 . . . . 0.0 112.361 -176.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.438 ' HB3' ' HB2' ' A' ' 30' ' ' CYS . 36.6 Cg_endo -66.6 -29.61 43.64 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 123.434 2.756 . . . . 0.0 113.053 -171.145 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -64.44 -21.54 66.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.8 -172.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 61.1 t -89.6 -29.17 5.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -173.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 12.2 p80 -126.52 -31.34 2.75 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.322 -0.551 . . . . 0.0 112.215 -176.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 61.55 -37.01 0.05 OUTLIER Glycine 0 CA--C 1.529 0.934 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -178.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -101.26 136.64 40.78 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 117.285 0.543 . . . . 0.0 110.258 176.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.613 ' O ' ' HA ' ' A' ' 7' ' ' CYS . 0.0 OUTLIER 177.08 -56.76 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 O-C-N 123.826 0.704 . . . . 0.0 110.455 176.403 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.707 ' SG ' ' HB ' ' A' ' 8' ' ' VAL . 84.0 m -79.56 148.68 31.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.26 0.552 . . . . 0.0 112.179 -175.599 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -78.57 157.89 28.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.289 -0.868 . . . . 0.0 111.126 -177.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 61.94 -141.05 47.19 Favored Glycine 0 N--CA 1.447 -0.619 0 CA-C-N 115.558 -0.747 . . . . 0.0 113.363 176.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.7 m -98.28 18.16 17.01 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.006 0.431 . . . . 0.0 110.632 -177.089 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -62.22 146.95 49.38 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.518 -178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -125.59 131.22 52.75 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.044 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 17' ' ' PRO . 57.5 m -73.85 94.09 2.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.253 0.549 . . . . 0.0 110.03 177.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -123.48 131.22 73.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.758 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.0 t 59.56 32.66 21.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.483 0.658 . . . . 0.0 109.658 -176.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.445 ' HB3' ' CE2' ' A' ' 13' ' ' PHE . 20.4 m120 63.75 21.65 12.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 114.682 -1.145 . . . . 0.0 111.778 -178.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 60.3 p -136.94 141.46 42.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.014 178.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 2.0 m -96.26 140.49 30.87 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.238 0.542 . . . . 0.0 111.923 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.403 ' HA ' ' HG3' ' A' ' 10' ' ' ARG . 11.0 ptm180 . . . . . 0 C--O 1.25 1.112 0 CA-C-O 117.677 -1.154 . . . . 0.0 108.78 179.521 . . . . . . . . 1 1 . 1 stop_ save_