data_2khr_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 2khr _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' A' ' 31' ' ' VAL . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.032 0.444 . . . . 60.11 111.451 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.642 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -154.71 146.65 23.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.937 -0.574 . . . . 74.42 110.105 -175.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -120.71 158.16 28.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.261 -0.427 . . . . 73.11 110.307 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 66.5 t -90.41 98.8 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.787 -0.82 . . . . 73.35 108.787 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 39' ' ' TRP . 27.8 tp -113.48 128.3 56.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.672 -0.694 . . . . 73.41 110.495 -172.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 26' ' ' HIS . 47.0 t -129.12 130.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.668 -0.493 . . . . 65.21 109.668 176.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.532 ' ND2' ' HB2' ' A' ' 24' ' ' ASP . 10.3 p30 -105.09 173.16 6.42 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.564 -0.532 . . . . 70.05 109.564 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.21 -24.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.023 0.379 . . . . 75.41 112.023 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -101.79 10.79 39.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.707 0.262 . . . . 75.54 111.707 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.532 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.8 t70 -116.0 -174.35 2.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.2 -0.296 . . . . 72.21 110.2 -177.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.49 -50.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.718 -0.219 . . . . 74.12 110.787 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.492 ' HA ' HG21 ' A' ' 20' ' ' VAL . 45.8 p-80 -165.65 127.79 2.02 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.388 . . . . 71.22 109.954 172.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -145.0 145.16 31.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.44 0.638 . . . . 74.25 111.957 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -98.54 116.03 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.396 -0.82 . . . . 62.1 109.084 172.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 66.8 t-105 -107.48 115.99 58.54 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.128 -175.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 23.5 Cg_exo -65.1 131.97 30.37 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.782 2.322 . . . . 74.14 112.526 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.411 ' HB ' ' HB1' ' A' ' 15' ' ' ALA . 42.7 t -75.97 77.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 122.069 0.938 . . . . 74.32 109.432 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.53 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.254 -1.339 . . . . 63.22 108.014 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.86 163.75 13.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.097 -0.956 . . . . 74.2 109.153 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.27 143.56 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.907 0.384 . . . . 73.54 110.691 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -87.0 124.73 68.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 72.42 109.926 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -106.21 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.864 2.376 . . . . 52.44 113.671 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.02 160.36 43.69 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 122.04 -0.412 . . . . 64.52 110.645 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.76 29.63 63.0 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.862 -0.685 . . . . 71.31 112.075 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.492 ' HB2' HD11 ' A' ' 19' ' ' LEU . 52.7 p-90 -110.05 174.69 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.416 0.627 . . . . 75.23 111.99 -174.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -153.5 127.97 9.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.028 -0.987 . . . . 71.53 109.378 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.59 118.96 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.875 0.369 . . . . 71.24 110.205 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.15 -26.55 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.503 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.415 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . 66.0 t60 -165.1 144.84 6.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 72.12 109.914 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.35 -164.49 40.2 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.788 -0.72 . . . . 64.42 112.996 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -74.18 98.72 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.201 1.0 . . . . 75.21 111.726 -177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.642 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -134.44 166.04 23.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.434 -1.257 . . . . 74.23 108.268 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -30.89 128.31 0.14 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.495 0.924 . . . . 75.44 113.495 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 9.5 tpt180 -54.33 -46.89 72.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.498 -0.774 . . . . 64.14 111.285 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.01 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 71.21 110.931 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.56 -39.49 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.587 . . . . 75.34 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.501 ' HB3' HD13 ' A' ' 28' ' ' LEU . 71.4 m -68.5 -44.43 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 53.12 110.765 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 HD22 ' HG ' ' A' ' 28' ' ' LEU . 4.3 mm? -61.82 -46.24 90.36 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 110.175 -0.306 . . . . 74.21 110.175 175.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.661 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 25.9 t70 -55.79 -53.31 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 63.52 110.082 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -54.84 -50.96 67.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.29 -0.414 . . . . 62.33 111.939 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 m -65.71 -37.57 80.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.857 -0.337 . . . . 74.32 111.398 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.47 -34.34 67.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.356 -0.384 . . . . 74.35 110.722 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 20.5 mtpp . . . . . 0 C--O 1.225 -0.231 0 N-CA-C 109.793 -0.447 . . . . 75.4 109.793 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.909 -0.404 . . . . 60.11 109.909 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.531 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -139.5 145.68 39.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.846 -0.427 . . . . 74.42 109.846 177.165 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -110.22 157.56 19.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.712 0.292 . . . . 73.11 110.737 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.449 HG11 ' HB ' ' A' ' 42' ' ' VAL . 17.4 t -88.12 97.51 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.136 -0.69 . . . . 73.35 109.136 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' A' ' 39' ' ' TRP . 15.7 tp -114.73 164.73 13.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.196 -0.456 . . . . 73.41 109.838 -173.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.24 130.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 120.838 0.352 . . . . 65.21 110.059 170.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.02 151.23 21.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 70.05 110.076 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -50.69 -38.19 45.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 75.41 112.246 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -101.81 5.49 41.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.808 0.299 . . . . 75.54 111.808 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -117.95 160.7 21.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 72.21 111.174 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -80.06 -45.01 19.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.273 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -165.68 127.94 2.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.778 0.323 . . . . 71.22 110.855 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -120.67 116.05 24.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 74.25 111.612 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 102.28 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.29 0.567 . . . . 62.1 109.631 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -107.41 120.14 48.53 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 74.32 110.615 -171.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.52 134.3 40.75 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.093 2.528 . . . . 74.14 112.65 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.58 76.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.495 -0.775 . . . . 74.32 109.239 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -159.17 -36.48 0.06 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.987 -1.006 . . . . 63.22 109.489 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.53 163.57 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 74.2 109.853 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.91 143.3 55.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 73.54 110.871 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.7 mt -79.68 123.29 84.09 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.034 -0.358 . . . . 72.42 110.034 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 -155.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.21 2.606 . . . . 52.44 112.258 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.43 173.83 6.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.089 -0.337 . . . . 64.52 110.089 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.26 29.97 69.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 71.31 112.039 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.52 ' HB2' HD11 ' A' ' 19' ' ' LEU . 59.5 p-90 -108.53 147.61 31.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.189 0.519 . . . . 75.23 111.798 -173.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 40' ' ' ARG . 38.6 ttt180 -135.63 129.16 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.803 -0.814 . . . . 71.53 108.803 167.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.56 119.0 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.881 0.372 . . . . 71.24 110.059 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.449 ' HB ' HG11 ' A' ' 18' ' ' VAL . 40.3 t -83.6 -41.76 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.919 -0.582 . . . . 74.14 109.685 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.61 169.2 20.55 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.757 -0.656 . . . . 72.12 109.887 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 17' ' ' PHE . . . -80.27 -141.63 2.73 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.932 -0.652 . . . . 64.42 113.099 -175.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -88.44 98.08 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.068 0.937 . . . . 75.21 110.392 -178.374 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.531 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.65 166.0 15.58 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.841 -1.527 . . . . 74.23 109.429 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -44.76 128.53 6.82 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.485 0.49 . . . . 75.44 111.227 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -54.66 -54.05 46.81 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.155 -0.475 . . . . 64.14 111.46 -173.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.41 77.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 71.21 111.028 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.64 -35.25 75.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 75.34 110.954 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.403 ' O ' HG22 ' A' ' 55' ' ' VAL . 64.5 m -64.23 -51.09 65.34 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.108 -0.331 . . . . 53.12 110.108 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 96.4 mt -55.66 -47.68 76.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.806 -0.634 . . . . 74.21 110.195 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.51 -52.96 61.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.255 -0.884 . . . . 63.52 110.988 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -58.27 -51.27 70.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.814 -0.63 . . . . 62.33 111.809 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 51' ' ' CYS . 28.8 m -66.08 -41.35 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.68 -0.408 . . . . 74.32 111.659 -174.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 18.5 mt-10 -72.64 -31.23 64.95 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.812 -0.355 . . . . 74.35 111.562 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.0 mttp . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 111.765 0.283 . . . . 75.4 111.765 177.227 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HB3' HG23 ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.234 -0.654 . . . . 60.11 109.234 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.577 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -94.81 145.85 24.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 74.42 111.723 -172.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.585 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 2.2 m-85 -111.79 166.37 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.38 -0.827 . . . . 73.11 109.871 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -91.64 97.48 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.309 -0.626 . . . . 73.35 109.309 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 39' ' ' TRP . 29.4 tp -108.63 128.4 54.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.78 0.324 . . . . 73.41 110.612 -174.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -114.62 143.9 23.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.869 -0.789 . . . . 65.21 108.869 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 28.6 m-80 -105.06 174.11 6.02 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.988 -0.375 . . . . 70.05 109.988 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.9 -36.01 42.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.216 0.532 . . . . 75.41 109.884 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -103.16 -6.59 22.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.687 -0.688 . . . . 75.54 111.73 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 18.8 t70 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.622 0.248 . . . . 72.21 110.699 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -80.19 -25.93 39.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.778 1.029 . . . . 74.12 113.778 -171.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.499 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . 19.2 p80 -165.69 131.82 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.084 0.772 . . . . 71.22 113.084 -173.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.2 m -141.02 121.89 14.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.442 -0.799 . . . . 74.25 110.201 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.34 93.51 9.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.663 -0.865 . . . . 62.1 108.663 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -107.7 125.83 31.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.316 -0.856 . . . . 74.32 111.045 -167.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.0 Cg_endo -73.81 141.11 29.98 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.644 2.229 . . . . 74.14 112.767 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 15' ' ' ALA . 29.8 m -77.95 8.3 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.838 -0.619 . . . . 74.32 111.617 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -92.86 6.13 48.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.516 0.674 . . . . 63.22 109.329 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.63 163.78 27.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.346 -0.843 . . . . 74.2 109.893 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.0 143.55 49.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.865 0.364 . . . . 73.54 111.235 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -106.2 128.62 25.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.09 -0.504 . . . . 72.42 109.801 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.43 -152.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 123.371 2.714 . . . . 52.44 111.998 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.83 154.89 46.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.705 0.288 . . . . 64.52 110.387 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.5 29.7 5.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.887 -0.673 . . . . 71.31 111.682 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.511 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 31.4 p-90 -124.78 173.23 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.372 0.605 . . . . 75.23 112.465 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.511 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 5.1 mpt_? -137.69 114.44 10.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.836 -1.074 . . . . 71.53 109.465 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.452 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 81.0 t -83.33 116.13 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.47 -0.567 . . . . 71.24 109.47 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -81.04 -40.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 74.14 110.544 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -153.95 160.96 42.31 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.912 -0.585 . . . . 72.12 109.856 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -141.02 1.53 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.694 -0.765 . . . . 64.42 112.437 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -85.82 98.08 10.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.327 1.06 . . . . 75.21 110.652 -177.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.1 166.1 15.06 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.619 -1.628 . . . . 74.23 108.984 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -47.71 128.29 12.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 75.44 111.305 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 1.7 tmm_? -61.84 -37.07 83.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 64.14 111.169 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.83 75.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.342 -0.39 . . . . 71.21 110.974 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.06 98.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.86 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 80.7 m -64.26 -46.29 84.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 53.12 110.92 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 74.21 110.008 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.78 -48.48 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.853 -0.612 . . . . 63.52 110.469 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -61.03 -50.82 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 62.33 111.402 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 26' ' ' HIS . 33.2 m -66.13 -36.08 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.602 0.239 . . . . 74.32 111.615 -175.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -69.35 -40.84 77.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.123 0.487 . . . . 74.35 110.772 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.188 -0.46 . . . . 75.4 111.779 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 120.881 0.372 . . . . 60.11 110.332 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.58 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -144.81 145.59 31.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 74.42 109.546 177.643 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -119.08 167.94 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.553 . . . . 73.11 111.029 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.502 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 73.8 t -96.59 101.54 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.29 -0.868 . . . . 73.35 109.391 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.453 HD12 ' HB2' ' A' ' 39' ' ' TRP . 13.5 tp -101.05 128.41 47.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.565 -0.743 . . . . 73.41 109.896 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -129.13 143.63 40.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.358 -0.383 . . . . 65.21 109.98 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -123.3 172.76 8.4 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.696 -0.853 . . . . 70.05 108.696 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.06 -30.69 70.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.035 0.445 . . . . 75.41 110.585 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -112.93 9.41 18.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.677 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -115.71 128.79 56.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.776 -0.824 . . . . 72.21 108.776 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.94 -53.93 11.57 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.651 -0.42 . . . . 74.12 111.063 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.554 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 5.4 p-80 -167.26 127.97 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.734 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -131.8 131.78 43.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.028 0.442 . . . . 74.25 111.248 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 51' ' ' CYS . 4.2 mm? -85.05 106.31 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.895 -0.78 . . . . 62.1 108.895 172.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -109.04 116.02 56.1 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.161 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' A' ' 32' ' ' PHE . 21.2 Cg_exo -64.67 141.98 75.01 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.65 2.233 . . . . 74.14 111.851 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 t -79.25 13.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 122.178 0.99 . . . . 74.32 109.54 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 30' ' ' PRO . 77.1 t80 -95.64 -9.15 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.914 -1.039 . . . . 63.22 109.314 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.07 163.64 14.46 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.483 -0.781 . . . . 74.2 110.81 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.22 143.66 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 73.54 111.956 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -117.31 120.41 33.46 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 72.42 109.438 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -85.04 -107.96 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.763 2.308 . . . . 52.44 113.353 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.84 166.75 28.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.105 -0.372 . . . . 64.52 110.627 -175.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.43 27.51 73.74 Favored Glycine 0 C--N 1.329 0.14 0 C-N-CA 120.794 -0.717 . . . . 71.31 111.934 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.523 ' C ' ' HD2' ' A' ' 40' ' ' ARG . 38.2 p-90 -101.08 154.31 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.186 0.517 . . . . 75.23 111.449 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HD2' ' C ' ' A' ' 39' ' ' TRP . 3.4 mpt_? -127.39 114.3 17.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.757 -0.656 . . . . 71.53 109.327 174.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.01 107.07 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.46 -0.571 . . . . 71.24 109.46 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -84.64 -29.17 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 74.14 110.903 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.908 ' HE1' ' HB1' ' A' ' 46' ' ' ALA . 53.5 t-80 -147.68 144.23 28.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.318 -0.401 . . . . 72.12 110.254 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.08 -158.64 29.85 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.083 -0.579 . . . . 64.42 112.815 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -80.7 98.35 7.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.256 1.027 . . . . 75.21 111.547 -176.307 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.908 ' HB1' ' HE1' ' A' ' 43' ' ' HIS . . . -146.21 166.15 27.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.76 -1.109 . . . . 74.23 108.209 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 m -31.36 127.8 0.18 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.418 1.074 . . . . 75.44 113.299 -168.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.51 ' NH1' HD13 ' A' ' 52' ' ' LEU . 2.3 tmm_? -62.91 -39.09 93.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.947 -1.024 . . . . 64.14 110.452 -173.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.291 -0.413 . . . . 71.21 111.179 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.35 87.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.225 0.536 . . . . 75.34 110.027 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.519 ' HB3' HD12 ' A' ' 28' ' ' LEU . 76.6 m -62.65 -42.29 99.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.647 -0.706 . . . . 53.12 110.344 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.51 HD13 ' NH1' ' A' ' 48' ' ' ARG . 79.5 mt -55.51 -47.88 75.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.563 -0.289 . . . . 74.21 110.815 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.47 -52.3 64.1 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.114 0.483 . . . . 63.52 110.231 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.27 -50.01 75.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.211 -0.904 . . . . 62.33 111.409 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 21.8 m -67.26 -36.66 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 111.948 0.351 . . . . 74.32 111.948 -175.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.94 -39.52 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 74.35 111.295 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.328 -0.396 . . . . 75.4 111.378 178.627 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 109.455 -0.572 . . . . 60.11 109.455 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.701 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -96.68 145.54 25.68 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.929 -0.578 . . . . 74.42 112.195 -170.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.448 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 3.5 m-85 -113.97 155.56 25.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.638 -0.71 . . . . 73.11 109.529 173.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.464 HG22 ' HB3' ' A' ' 51' ' ' CYS . 41.9 t -82.37 97.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.43 -0.581 . . . . 73.35 109.43 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 39' ' ' TRP . 20.3 tp -105.65 128.09 53.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 73.41 110.356 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.603 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 94.9 t -108.94 137.83 39.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.31 -0.626 . . . . 65.21 109.31 173.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 1.116 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 43.0 m-80 -96.15 -173.36 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.143 -0.48 . . . . 70.05 109.875 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -76.92 -43.15 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.389 0.614 . . . . 75.41 109.842 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -114.02 17.32 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.324 -0.853 . . . . 75.54 111.497 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 1.116 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 6.7 t70 -120.22 147.08 45.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.444 -0.344 . . . . 72.21 110.636 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.51 -49.63 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 74.12 111.303 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -165.32 134.3 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.319 -0.4 . . . . 71.22 111.146 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.0 m -140.37 124.17 17.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.037 -0.529 . . . . 74.25 110.287 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.36 101.98 10.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.094 -0.706 . . . . 62.1 109.094 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -108.06 116.98 56.1 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.827 . . . . 74.32 110.687 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.701 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 15.4 Cg_exo -69.11 141.34 47.58 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.94 2.426 . . . . 74.14 112.81 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.79 2.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.761 -0.654 . . . . 74.32 111.509 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -76.26 -17.44 59.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.326 0.584 . . . . 63.22 109.779 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.73 148.1 37.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 74.2 110.495 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.16 142.89 57.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.258 -0.428 . . . . 73.54 111.08 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -94.94 119.39 66.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.856 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.9 -157.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.16 2.574 . . . . 52.44 112.205 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.498 ' HA ' ' HD1' ' A' ' 39' ' ' TRP . . . -104.32 175.33 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.662 -0.496 . . . . 64.52 109.662 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.85 60.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.184 -1.008 . . . . 71.31 110.999 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.498 ' HD1' ' HA ' ' A' ' 37' ' ' ALA . 64.5 p-90 -105.76 156.73 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.256 0.55 . . . . 75.23 111.833 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.603 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 20.0 tpt180 -142.84 114.07 7.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.299 -0.864 . . . . 71.53 109.116 174.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG21 ' CE3' ' A' ' 39' ' ' TRP . 76.9 t -92.39 114.18 28.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.92 0.391 . . . . 71.24 110.315 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.11 -35.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.062 -0.517 . . . . 74.14 110.91 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -159.33 148.82 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 72.12 110.2 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.8 -166.83 31.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.424 -0.417 . . . . 64.42 112.974 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 2.8 pt-20 -69.08 98.4 0.98 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.847 0.832 . . . . 75.21 111.919 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.67 166.36 24.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.402 -1.272 . . . . 74.23 108.294 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -35.71 128.27 0.64 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.779 0.675 . . . . 75.44 112.494 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.578 ' NH1' HD12 ' A' ' 52' ' ' LEU . 2.5 tmm_? -66.85 -41.66 87.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.774 -0.648 . . . . 64.14 110.765 -170.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.9 85.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.548 -0.296 . . . . 71.21 110.832 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.6 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.487 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB3' HG22 ' A' ' 18' ' ' VAL . 71.5 m -62.02 -49.02 77.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.216 -0.447 . . . . 53.12 110.695 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.578 HD12 ' NH1' ' A' ' 48' ' ' ARG . 94.8 mt -54.3 -50.52 67.14 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.826 174.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.23 -49.34 72.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.549 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.14 -51.58 68.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.535 -0.757 . . . . 62.33 111.411 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.46 -35.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.174 0.435 . . . . 74.32 112.174 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -72.21 -34.1 68.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.654 0.264 . . . . 74.35 111.25 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.678 -0.237 . . . . 75.4 111.502 177.689 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.834 0.35 . . . . 60.11 111.123 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -128.0 145.7 50.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.657 . . . . 74.42 109.875 -177.282 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.85 158.62 25.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.47 -0.332 . . . . 73.11 110.826 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -84.22 100.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.167 -0.679 . . . . 73.35 109.167 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 39' ' ' TRP . 13.6 tp -111.55 128.23 55.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.324 -0.398 . . . . 73.41 110.425 -171.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.75 130.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.292 -0.633 . . . . 65.21 109.292 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 49.2 m-80 -89.6 153.72 20.54 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.124 -0.695 . . . . 70.05 109.124 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.66 -25.81 68.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.904 0.383 . . . . 75.41 110.686 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -114.11 25.63 10.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 75.54 111.459 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 21' ' ' ASN . 14.6 t70 -137.13 160.84 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.159 -0.312 . . . . 72.21 110.159 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -83.07 -50.52 8.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 74.12 111.176 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.562 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -166.02 143.45 5.44 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.647 -0.251 . . . . 71.22 111.165 -176.736 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -147.82 149.68 32.77 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.528 0.68 . . . . 74.25 111.644 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.69 110.61 20.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.782 -0.821 . . . . 62.1 108.782 174.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -117.82 121.59 31.53 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.549 -0.296 . . . . 74.32 111.283 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 68.6 Cg_endo -75.43 134.25 16.9 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.564 2.176 . . . . 74.14 111.766 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.62 9.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.462 . . . . 74.32 112.02 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -75.34 -29.2 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.019 -0.734 . . . . 63.22 109.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.22 144.91 30.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 74.2 109.744 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.16 130.03 41.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.455 . . . . 73.54 111.437 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.8 mt -74.37 129.03 84.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.784 -0.644 . . . . 72.42 109.827 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.99 -101.5 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.856 2.371 . . . . 52.44 114.061 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.58 160.28 43.92 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.489 -0.132 . . . . 64.52 110.756 -174.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.73 29.99 66.76 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.089 -0.577 . . . . 71.31 111.969 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.488 ' HB2' HD13 ' A' ' 19' ' ' LEU . 42.1 p-90 -104.11 139.01 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.582 0.706 . . . . 75.23 112.359 -173.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -119.63 114.91 22.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.894 -1.048 . . . . 71.53 109.559 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.85 110.67 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.683 -0.488 . . . . 71.24 109.683 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.44 -39.07 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.267 0.556 . . . . 74.14 109.603 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -155.13 154.87 33.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.261 -0.881 . . . . 72.12 109.385 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -80.43 -132.78 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 O-C-N 123.641 0.588 . . . . 64.42 112.918 -176.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -92.75 97.74 10.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.688 1.232 . . . . 75.21 110.562 -177.259 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.528 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -118.4 166.32 12.81 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 113.121 -1.854 . . . . 74.23 109.205 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -43.66 129.75 5.41 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.485 0.491 . . . . 75.44 111.544 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.3 tmm_? -54.08 -47.16 72.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.024 -0.534 . . . . 64.14 110.828 -175.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.51 96.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.509 -0.314 . . . . 71.21 110.61 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.23 86.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 75.34 111.045 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -66.59 -45.56 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 53.12 111.099 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.495 HD22 ' HD2' ' A' ' 48' ' ' ARG . 4.5 mm? -64.98 -42.79 94.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.879 0.371 . . . . 74.21 110.312 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.83 -46.41 81.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.401 0.62 . . . . 63.52 110.04 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.77 -51.35 70.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.939 -1.028 . . . . 62.33 111.304 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.562 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.6 m -69.76 -37.3 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.791 0.293 . . . . 74.32 111.791 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.16 -36.75 69.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.624 0.25 . . . . 74.35 111.6 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 120.591 0.234 . . . . 75.4 111.531 177.728 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . . . . . . 0 C--O 1.226 -0.139 0 N-CA-C 109.956 -0.387 . . . . 60.11 109.956 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.494 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -99.52 145.77 27.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 74.42 112.219 -174.119 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.858 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -120.67 155.92 32.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.294 -0.866 . . . . 73.11 110.018 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 43' ' ' HIS . 66.2 t -87.03 98.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.703 -0.481 . . . . 73.35 109.703 175.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 39' ' ' TRP . 12.1 tp -106.0 129.9 54.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.79 -0.641 . . . . 73.41 110.237 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -109.09 135.05 49.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.845 0.355 . . . . 65.21 110.325 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.598 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . 28.6 t-20 -104.33 162.76 12.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.608 -0.886 . . . . 70.05 108.608 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -56.36 -46.12 80.16 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.297 0.48 . . . . 75.41 112.297 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -114.55 25.52 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.805 0.298 . . . . 75.54 111.805 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.598 ' CB ' ' HB3' ' A' ' 21' ' ' ASN . 37.7 t70 -111.26 155.54 22.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.865 0.364 . . . . 72.21 111.615 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.645 ' NE2' ' H ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -84.04 -50.49 7.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.986 -0.552 . . . . 74.12 112.009 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.645 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 14.9 p80 -165.85 128.11 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.858 0.361 . . . . 71.22 110.911 175.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -123.37 104.77 9.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.684 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.07 97.91 7.75 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.903 -0.777 . . . . 62.1 108.903 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 76.3 t-105 -107.56 126.54 29.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.815 -0.63 . . . . 74.32 110.787 -169.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.4 Cg_exo -68.26 131.93 24.64 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.752 2.301 . . . . 74.14 112.542 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.89 -4.26 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 74.32 111.098 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -75.67 -20.93 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.755 -0.657 . . . . 63.22 109.402 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.28 162.8 12.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 74.2 110.169 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.45 121.12 17.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.242 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -83.73 120.75 75.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.212 -0.449 . . . . 72.42 109.946 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.49 -153.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.376 2.717 . . . . 52.44 112.178 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.62 155.8 24.83 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 110.339 -0.245 . . . . 64.52 110.339 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.33 29.99 8.04 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.729 -0.748 . . . . 71.31 111.597 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.476 ' HB2' HD12 ' A' ' 19' ' ' LEU . 67.9 p-90 -121.72 160.77 23.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.09 0.472 . . . . 75.23 111.496 -173.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' ARG . 4.0 mmt180 -146.02 124.76 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 71.53 110.145 171.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.461 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 70.5 t -88.63 124.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 71.24 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.34 -36.37 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.033 0.444 . . . . 74.14 110.879 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.844 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 44.8 t-80 -145.44 144.52 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.512 . . . . 72.12 110.245 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.76 -157.95 14.45 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 121.061 -0.59 . . . . 64.42 113.345 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.858 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.61 99.41 9.54 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 122.569 1.176 . . . . 75.21 111.266 -176.215 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.844 ' HB3' ' HE1' ' A' ' 43' ' ' HIS . . . -144.35 166.09 26.07 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.457 -1.701 . . . . 74.23 108.843 173.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -31.41 128.19 0.17 Allowed 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.445 1.091 . . . . 75.44 113.484 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -55.98 -48.04 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.977 -1.011 . . . . 64.14 110.692 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 71.21 111.074 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.76 92.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 75.34 111.092 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.18 -51.18 68.86 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.452 -0.34 . . . . 53.12 110.972 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 52' ' ' LEU . 4.1 mm? -57.57 -46.98 83.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 74.21 111.239 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.63 -47.92 83.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.527 -0.306 . . . . 63.52 110.914 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.14 -51.63 68.92 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.279 -0.419 . . . . 62.33 111.49 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.61 -38.18 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.628 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 53.3 mt-10 -72.81 -29.94 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.926 -0.31 . . . . 74.35 111.64 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? . . . . . 0 N--CA 1.462 0.131 0 C-N-CA 121.189 -0.204 . . . . 75.4 111.034 176.095 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 121.418 0.627 . . . . 60.11 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.631 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -132.86 145.64 51.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.943 -1.026 . . . . 74.42 109.298 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.0 m-85 -114.98 165.4 12.92 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.018 0.437 . . . . 73.11 111.013 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.69 97.7 7.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 N-CA-C 109.005 -0.739 . . . . 73.35 109.005 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 39' ' ' TRP . 21.0 tp -107.67 129.11 55.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.606 -0.724 . . . . 73.41 110.724 -173.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -114.76 134.27 58.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 65.21 110.102 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.708 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.7 t-20 -111.03 156.09 21.79 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 70.05 108.462 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.49 -38.92 72.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 75.41 111.355 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -109.97 21.07 17.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 75.54 111.422 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.708 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 18.2 t70 -134.09 132.65 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.497 -0.556 . . . . 72.21 109.497 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.64 -53.51 22.03 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 74.12 111.599 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -166.76 128.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.819 -0.173 . . . . 71.22 110.943 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -128.86 135.25 48.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 74.25 111.726 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 51' ' ' CYS . 2.8 mm? -84.03 101.5 11.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.725 -0.842 . . . . 62.1 108.725 170.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -107.69 116.86 56.84 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.705 -0.68 . . . . 74.32 110.681 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.614 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.7 Cg_endo -73.39 155.31 50.95 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.581 2.187 . . . . 74.14 112.31 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.38 -0.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.952 0.406 . . . . 74.32 111.562 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -101.03 24.95 8.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.779 0.799 . . . . 63.22 109.313 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.98 127.99 29.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.5 -0.773 . . . . 74.2 110.113 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -62.57 122.24 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.344 0.592 . . . . 73.54 110.941 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mt -77.01 128.71 80.58 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 72.42 110.722 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.47 -154.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.322 2.682 . . . . 52.44 112.289 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.24 166.5 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.494 0.188 . . . . 64.52 110.563 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 29.49 56.68 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.639 -0.791 . . . . 71.31 111.907 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.0 p-90 -109.66 151.81 26.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.846 0.355 . . . . 75.23 111.686 -174.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . 10.2 mmt180 -144.66 128.83 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.755 -0.657 . . . . 71.53 110.208 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.13 115.55 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.017 -0.538 . . . . 71.24 110.644 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.44 -25.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.076 0.465 . . . . 74.14 110.296 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.419 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 31.4 t-80 -157.71 143.46 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.135 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.75 -153.33 10.93 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.848 -0.691 . . . . 64.42 112.167 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.27 98.17 9.27 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.642 1.211 . . . . 75.21 111.259 -174.14 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.631 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.59 166.02 13.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.143 -1.844 . . . . 74.23 108.245 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -44.94 131.43 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.634 0.584 . . . . 75.44 111.179 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.2 tpp180 -51.47 -43.61 62.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 64.14 111.006 -176.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.22 89.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.258 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.05 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 75.34 110.861 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' HD12 ' A' ' 28' ' ' LEU . 80.5 m -64.73 -44.98 88.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.969 -0.56 . . . . 53.12 110.796 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.98 -44.45 96.72 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.828 0.347 . . . . 74.21 110.43 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.01 -46.72 82.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 63.52 110.11 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -62.62 -51.89 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 62.33 111.651 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.7 m -65.35 -40.96 90.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.655 0.264 . . . . 74.32 111.617 -174.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -72.77 -39.76 66.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.45 -0.341 . . . . 74.35 111.769 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 120.747 0.308 . . . . 75.4 111.467 178.713 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.05 0.452 . . . . 60.11 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.564 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -139.75 147.16 40.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 74.42 110.029 -176.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.59 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -118.05 163.08 17.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.301 -0.409 . . . . 73.11 110.381 177.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.2 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.208 -0.664 . . . . 73.35 109.208 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 39' ' ' TRP . 12.7 tp -105.94 128.23 53.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.682 -0.69 . . . . 73.41 109.845 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 26' ' ' HIS . 88.3 t -126.9 133.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.995 0.426 . . . . 65.21 111.313 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -104.46 150.39 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.519 -0.919 . . . . 70.05 108.519 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -68.19 -14.54 63.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.853 0.359 . . . . 75.41 111.191 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.62 17.35 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.104 -0.498 . . . . 75.54 110.182 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.37 -166.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.837 -0.801 . . . . 72.21 108.837 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -125.46 -53.47 1.59 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.214 -0.304 . . . . 74.12 110.419 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.417 ' HA ' HG22 ' A' ' 20' ' ' VAL . 25.4 p80 -166.14 144.87 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.327 . . . . 71.22 110.476 173.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 m -148.79 127.16 12.24 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.401 -0.363 . . . . 74.25 110.321 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.72 109.09 17.78 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.057 -0.72 . . . . 62.1 109.057 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -107.62 116.31 57.82 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.912 -171.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.34 139.34 41.45 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.043 2.495 . . . . 74.14 111.827 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.15 -1.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.728 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -68.38 -33.09 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.217 0.532 . . . . 63.22 110.312 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.15 139.89 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 74.2 109.4 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.63 143.33 48.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.791 -0.364 . . . . 73.54 110.04 -176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.413 HG23 HD22 ' A' ' 19' ' ' LEU . 56.6 mt -68.82 133.66 90.29 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.917 -0.583 . . . . 72.42 111.418 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.78 -163.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.023 2.482 . . . . 52.44 112.276 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.17 170.23 9.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.331 -0.395 . . . . 64.52 109.981 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.82 69.91 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.79 -0.719 . . . . 71.31 112.304 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.489 ' HB2' HD12 ' A' ' 19' ' ' LEU . 60.0 p-90 -98.94 154.3 18.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.079 0.466 . . . . 75.23 112.024 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 3.0 tpt180 -149.42 126.14 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.923 -0.769 . . . . 71.53 108.923 170.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.73 116.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.693 0.282 . . . . 71.24 110.741 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -92.46 -29.53 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.179 0.514 . . . . 74.14 110.707 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -155.98 144.86 20.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.403 -0.591 . . . . 72.12 109.403 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.62 -148.74 9.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.595 -0.812 . . . . 64.42 112.446 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -83.85 98.21 9.62 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 122.403 1.097 . . . . 75.21 111.297 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.564 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -129.89 160.25 34.12 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.499 -1.682 . . . . 74.23 108.365 172.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 m -39.29 128.4 1.79 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.806 0.691 . . . . 75.44 112.036 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.744 HH11 HD21 ' A' ' 52' ' ' LEU . 6.3 tmm_? -51.8 -48.33 63.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.701 -0.681 . . . . 64.14 110.993 -174.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.14 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.495 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.94 65.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 75.34 111.127 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.12 -46.62 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 53.12 110.386 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.744 HD21 HH11 ' A' ' 48' ' ' ARG . 9.4 mp -57.56 -46.94 83.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 74.21 110.298 173.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.59 -49.02 73.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.792 -0.64 . . . . 63.52 110.588 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.93 -51.52 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 62.33 111.606 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.07 -41.14 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.852 -0.339 . . . . 74.32 111.691 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.47 -38.89 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.589 -0.278 . . . . 74.35 111.695 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 120.672 0.272 . . . . 75.4 111.385 179.431 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 120.859 0.362 . . . . 60.11 110.304 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.662 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -146.3 145.74 30.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.868 -0.605 . . . . 74.42 109.374 -176.653 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.1 m-85 -121.37 157.47 30.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.834 0.349 . . . . 73.11 110.504 -178.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t -90.72 97.48 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.016 -0.735 . . . . 73.35 109.016 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.9 tp -100.22 137.77 38.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.314 -0.857 . . . . 73.41 110.17 -172.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -131.47 134.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.931 0.396 . . . . 65.21 110.52 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -117.99 152.59 35.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.736 -0.839 . . . . 70.05 108.736 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.85 -32.31 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 75.41 110.63 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.07 12.48 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.771 -0.649 . . . . 75.54 110.374 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -135.81 -166.71 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.818 -0.808 . . . . 72.21 108.818 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 26' ' ' HIS . 4.0 pt20 -129.39 -52.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.535 0.207 . . . . 74.12 110.659 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 49.7 m-70 -162.92 127.98 3.14 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.436 0.695 . . . . 71.22 109.231 -177.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 m -135.5 131.66 36.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.86 0.362 . . . . 74.25 110.914 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.73 102.34 12.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.877 -0.786 . . . . 62.1 108.877 171.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' HG12 ' A' ' 35' ' ' ILE . 76.3 t-105 -107.65 115.77 58.63 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.229 -172.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 67.7 Cg_endo -77.19 143.02 22.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.596 2.197 . . . . 74.14 112.059 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.0 m -75.2 1.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.031 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -63.31 -27.66 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.622 -0.881 . . . . 63.22 108.622 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.64 152.23 26.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.219 -0.9 . . . . 74.2 109.594 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -82.06 143.6 31.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.021 0.439 . . . . 73.54 110.623 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 29' ' ' TRP . 21.5 mt -84.02 122.37 75.95 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 72.42 109.877 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.96 -98.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 122.914 2.409 . . . . 52.44 113.795 -174.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.53 37.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.314 -0.241 . . . . 64.52 110.826 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.52 72.65 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.987 -0.625 . . . . 71.31 112.389 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.501 ' HB2' HD11 ' A' ' 19' ' ' LEU . 55.5 p-90 -104.8 161.39 14.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.293 0.568 . . . . 75.23 111.84 -173.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.44 121.47 15.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.337 -0.847 . . . . 71.53 109.48 174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.5 t -92.7 114.0 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.767 0.318 . . . . 71.24 110.649 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -79.53 -42.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 74.14 109.813 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.71 139.33 29.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.37 -0.832 . . . . 72.12 108.993 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.441 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -76.57 -134.63 0.58 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.715 -0.755 . . . . 64.42 111.95 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.73 98.23 11.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.584 1.183 . . . . 75.21 110.742 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.662 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -120.07 165.91 14.09 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.219 -1.81 . . . . 74.23 108.251 173.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 m -40.34 128.48 2.36 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.504 0.503 . . . . 75.44 112.059 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 8.7 tpt180 -52.37 -44.65 65.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.892 -0.594 . . . . 64.14 110.573 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.03 89.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.513 -0.767 . . . . 71.21 111.325 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.43 80.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 75.34 111.275 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.52 -48.12 76.31 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.947 0.403 . . . . 53.12 110.404 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.544 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 97.0 mt -59.9 -43.96 94.54 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.057 -0.52 . . . . 74.21 110.053 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.41 -45.56 76.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.252 0.549 . . . . 63.52 110.255 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.03 -51.53 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 62.33 111.046 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.2 m -69.46 -40.1 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.033 0.382 . . . . 74.32 112.033 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 5.6 mm-40 -72.63 -40.16 66.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 74.35 111.477 -176.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 111.91 0.337 . . . . 75.4 111.91 179.296 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.82 -0.437 . . . . 60.11 109.82 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.556 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.71 147.13 25.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.526 -0.306 . . . . 74.42 110.188 -176.645 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -118.48 154.18 32.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.073 -0.512 . . . . 73.11 110.217 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 70.4 t -82.13 102.89 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.392 -0.966 . . . . 73.35 108.392 169.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.498 ' HG ' ' HE3' ' A' ' 39' ' ' TRP . 20.8 tp -120.98 127.88 52.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.642 -0.708 . . . . 73.41 109.733 -171.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -122.29 130.41 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.978 0.418 . . . . 65.21 110.292 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -93.6 165.43 12.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.939 -0.763 . . . . 70.05 108.939 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.04 -45.6 88.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 75.41 111.325 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -87.05 11.31 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 75.54 110.908 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -117.16 159.79 22.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.997 -0.371 . . . . 72.21 109.997 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -108.67 -35.81 6.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.149 0.426 . . . . 74.12 112.149 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.83 127.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.509 0.195 . . . . 71.22 110.725 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.3 m -150.74 144.35 25.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.251 0.548 . . . . 74.25 111.659 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 51' ' ' CYS . 4.3 mm? -106.76 114.31 28.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 62.1 109.136 173.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 74.4 t-105 -108.41 120.72 45.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.539 -174.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 17.3 Cg_exo -66.97 135.28 37.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.627 2.218 . . . . 74.14 112.406 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.39 -9.65 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.76 0.79 . . . . 74.32 109.933 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -72.48 -17.42 61.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.219 -0.9 . . . . 63.22 109.487 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.79 145.18 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 74.2 109.312 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.24 123.45 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.651 0.262 . . . . 73.54 110.655 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.8 mt -75.4 115.89 49.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.577 . . . . 72.42 110.725 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.06 175.44 10.9 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 123.0 2.467 . . . . 52.44 112.42 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.62 158.26 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.342 -0.39 . . . . 64.52 110.351 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.34 -23.29 36.44 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.425 -0.67 . . . . 71.31 111.425 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.498 ' HE3' ' HG ' ' A' ' 19' ' ' LEU . 32.5 m95 -86.32 147.65 25.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.397 -0.401 . . . . 75.23 110.001 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -110.39 119.38 39.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.258 -0.428 . . . . 71.53 110.175 -176.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.66 120.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.24 110.457 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -99.75 -33.57 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.142 0.496 . . . . 74.14 110.6 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 58.4 t60 -151.36 143.5 23.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.932 -0.576 . . . . 72.12 109.449 -176.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.99 -158.89 23.65 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.626 -0.797 . . . . 64.42 112.95 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.4 pt-20 -82.29 98.27 8.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.631 0.729 . . . . 75.21 111.187 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.15 165.9 25.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.826 -1.079 . . . . 74.23 108.237 174.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -33.82 128.2 0.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.999 0.812 . . . . 75.44 112.246 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 10.2 ttm180 -62.01 -42.41 99.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.467 -0.333 . . . . 64.14 110.843 -173.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.74 80.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.457 -0.338 . . . . 71.21 110.508 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.99 88.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 75.34 110.54 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.524 ' HB3' HD12 ' A' ' 28' ' ' LEU . 99.3 m -64.23 -50.02 69.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 53.12 110.811 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.535 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 8.7 mp -54.49 -52.05 63.13 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.276 -0.42 . . . . 74.21 111.112 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.63 -44.35 77.05 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.985 -0.286 . . . . 63.52 111.042 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.32 -51.73 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.397 -0.365 . . . . 62.33 111.255 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.42 HG23 ' OE1' ' A' ' 56' ' ' GLU . 20.7 m -69.15 -39.62 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 74.32 111.772 -175.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 9.3 mm-40 -72.77 -31.38 64.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.658 -0.246 . . . . 74.35 111.12 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.696 0.284 . . . . 75.4 110.33 174.573 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.906 -0.405 . . . . 60.11 109.906 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -137.81 145.72 42.66 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.882 -171.7 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.556 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 3.7 m-30 -120.56 156.03 32.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.555 . . . . 73.11 110.065 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t -88.77 97.36 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.182 -0.673 . . . . 73.35 109.182 174.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 39' ' ' TRP . 16.0 tp -104.47 134.59 47.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 73.41 110.782 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -130.14 139.14 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.121 -0.491 . . . . 65.21 110.025 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 27.7 t-20 -124.32 153.5 41.67 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.459 -0.571 . . . . 70.05 109.459 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.47 -38.37 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.028 0.381 . . . . 75.41 112.028 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.31 24.35 12.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.019 0.438 . . . . 75.54 111.231 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 28.0 t70 -126.12 151.26 47.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.182 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.58 -53.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.969 -0.292 . . . . 74.12 110.294 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -166.39 128.24 1.82 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.735 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -117.53 114.31 23.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.167 0.508 . . . . 74.25 111.236 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -87.51 95.24 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.582 -1.266 . . . . 62.1 107.582 170.423 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -107.44 121.5 44.2 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 74.32 111.686 -164.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.75 139.01 39.22 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.972 2.448 . . . . 74.14 111.922 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.76 -10.53 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 74.32 111.283 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.57 -11.62 59.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.392 0.615 . . . . 63.22 109.838 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.98 139.28 41.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.723 -0.671 . . . . 74.2 109.741 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.4 131.02 44.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 73.54 110.786 -176.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.53 133.71 62.87 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 72.42 110.492 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.91 -164.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.475 0.42 0 C-N-CA 123.064 2.509 . . . . 52.44 112.962 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.13 161.19 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 64.52 110.349 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.01 29.68 70.53 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.625 -0.797 . . . . 71.31 111.889 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.503 ' HB2' HD12 ' A' ' 19' ' ' LEU . 53.1 p-90 -85.79 155.26 21.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.192 0.52 . . . . 75.23 111.856 -175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -135.06 117.44 15.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 71.53 109.587 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.416 HG21 ' CE3' ' A' ' 39' ' ' TRP . 89.8 t -96.08 114.31 32.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.398 -0.364 . . . . 71.24 110.271 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.56 -46.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.323 0.583 . . . . 74.14 109.648 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -154.56 155.85 35.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 72.12 109.665 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.18 -134.16 0.99 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.992 -0.623 . . . . 64.42 112.393 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.556 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -84.07 97.74 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.381 1.086 . . . . 75.21 110.44 -177.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.608 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -113.79 166.15 11.85 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.51 -1.677 . . . . 74.23 108.427 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.2 m -44.26 127.76 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.818 0.342 . . . . 75.44 111.539 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.7 tmt_? -58.56 -40.13 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.693 -174.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.7 88.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.416 . . . . 71.21 110.747 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.58 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.839 -0.619 . . . . 75.34 111.417 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.513 ' HB3' HD21 ' A' ' 28' ' ' LEU . 81.4 m -62.72 -50.48 70.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 53.12 110.962 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HA ' HG23 ' A' ' 55' ' ' VAL . 4.3 mm? -63.92 -37.5 87.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 74.21 110.785 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 24.9 t70 -60.53 -52.61 64.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.838 -0.43 . . . . 63.52 109.838 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -54.73 -50.68 67.78 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.102 -0.499 . . . . 62.33 111.734 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 52' ' ' LEU . 34.7 m -67.74 -40.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.687 -0.405 . . . . 74.32 111.991 -174.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.87 -32.97 65.78 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 111.82 0.304 . . . . 74.35 111.82 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 30.6 mtpp . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.897 0.38 . . . . 75.4 110.727 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.034 -0.358 . . . . 60.11 110.034 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.786 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -136.17 145.46 45.79 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.2 -0.296 . . . . 74.42 110.2 -179.383 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 9.6 m-30 -118.33 168.21 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.313 0.578 . . . . 73.11 111.293 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 75.1 t -98.03 97.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.481 -0.782 . . . . 73.35 109.394 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.491 HD11 ' HB2' ' A' ' 39' ' ' TRP . 11.4 tp -104.76 128.49 52.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.565 . . . . 73.41 109.911 -174.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.95 130.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.766 -0.373 . . . . 65.21 110.673 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.611 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 43.5 t-20 -107.14 148.31 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.639 -0.875 . . . . 70.05 108.639 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.02 -36.64 70.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 75.41 111.699 -177.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.46 16.81 23.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.424 . . . . 75.54 111.015 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 13.2 t70 -121.74 167.56 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.167 -0.679 . . . . 72.21 109.167 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -94.61 -54.75 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.306 0.575 . . . . 74.12 109.984 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.471 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 20.7 p-80 -167.97 128.06 1.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.363 -0.835 . . . . 71.22 110.058 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -119.18 109.74 16.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.998 0.428 . . . . 74.25 111.205 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -77.16 93.99 4.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.11 -1.07 . . . . 62.1 108.11 172.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.451 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 15.7 t-105 -107.78 119.54 50.0 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.757 -167.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.786 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.5 Cg_exo -68.01 148.19 75.33 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.738 2.292 . . . . 74.14 111.889 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -76.77 -3.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 74.32 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -85.38 -12.42 52.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.19 -0.914 . . . . 63.22 109.27 174.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.31 163.91 12.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.403 -0.817 . . . . 74.2 110.679 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.29 126.13 28.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.603 . . . . 73.54 111.379 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mm -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.223 -0.444 . . . . 72.42 109.843 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -84.47 -153.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 123.337 2.691 . . . . 52.44 111.712 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.93 153.62 32.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.799 -0.445 . . . . 64.52 109.799 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.46 29.89 7.6 Favored Glycine 0 CA--C 1.508 -0.355 0 C-N-CA 120.535 -0.841 . . . . 71.31 112.04 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.491 ' HB2' HD11 ' A' ' 19' ' ' LEU . 65.2 p-90 -117.94 165.78 13.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.203 0.525 . . . . 75.23 111.382 -174.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -145.97 113.92 6.51 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.416 -0.811 . . . . 71.53 109.138 170.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.464 HG21 ' CZ3' ' A' ' 39' ' ' TRP . 96.6 t -76.9 100.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.216 -0.661 . . . . 71.24 109.216 175.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -77.62 -32.1 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.829 -0.623 . . . . 74.14 110.649 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.566 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 63.9 t-80 -142.83 142.03 31.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.768 -0.651 . . . . 72.12 109.746 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.78 -154.91 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.03 -0.605 . . . . 64.42 113.156 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.562 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.3 97.85 10.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.462 1.125 . . . . 75.21 111.158 -173.465 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.609 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.52 166.54 14.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.79 -1.55 . . . . 74.23 109.028 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -39.48 128.52 1.89 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.95 0.781 . . . . 75.44 111.59 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -47.53 -49.12 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.394 -0.821 . . . . 64.14 111.938 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.91 81.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.786 0.326 . . . . 71.21 111.847 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.02 71.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 75.34 111.0 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.513 ' HB3' HD21 ' A' ' 28' ' ' LEU . 78.7 m -65.93 -40.35 91.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.373 -0.376 . . . . 53.12 110.493 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.444 HD13 ' HG ' ' A' ' 28' ' ' LEU . 7.6 mp -60.84 -49.98 75.28 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.298 -0.41 . . . . 74.21 110.619 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.94 -45.06 83.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.338 0.59 . . . . 63.52 110.594 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -60.32 -45.4 93.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.408 -0.815 . . . . 62.33 111.431 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.471 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 25.4 m -73.17 -34.86 45.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 121.006 -0.278 . . . . 74.32 111.716 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.11 -36.03 72.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.594 -0.276 . . . . 74.35 111.128 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 83.6 mttt . . . . . 0 C--N 1.331 -0.22 0 N-CA-C 112.499 0.555 . . . . 75.4 112.499 179.531 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.087 0.47 . . . . 60.11 110.45 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.677 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -123.46 145.12 49.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 74.42 110.131 -174.302 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.422 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.97 158.44 25.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.409 -0.36 . . . . 73.11 110.097 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.58 97.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.996 -0.742 . . . . 73.35 108.996 175.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 39' ' ' TRP . 25.6 tp -110.73 154.47 23.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.705 -0.679 . . . . 73.41 110.514 -172.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.82 131.21 62.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.638 -0.71 . . . . 65.21 109.588 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -115.59 148.55 39.47 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.879 -0.786 . . . . 70.05 108.879 173.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.93 -20.56 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.574 0.583 . . . . 75.41 112.574 -169.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.99 14.24 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 75.54 111.71 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -142.42 -163.42 1.6 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.146 -1.057 . . . . 72.21 108.146 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -101.89 -52.81 3.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.297 0.57 . . . . 74.12 109.889 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -154.77 163.64 39.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.768 -0.827 . . . . 71.22 108.768 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 m -148.44 128.36 13.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.762 0.315 . . . . 74.25 111.385 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.72 98.95 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.453 -0.943 . . . . 62.1 108.453 169.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -107.58 124.37 35.21 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.731 -0.668 . . . . 74.32 110.748 -169.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.86 134.51 32.48 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.584 2.189 . . . . 74.14 112.116 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.91 -16.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 74.32 110.959 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -74.3 -14.59 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.014 0.435 . . . . 63.22 110.529 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.44 141.14 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 74.2 110.346 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -67.9 134.72 51.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.036 -0.529 . . . . 73.54 110.842 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.61 120.09 79.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.246 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.19 -99.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.059 2.506 . . . . 52.44 114.539 -171.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.37 44.18 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.964 -0.46 . . . . 64.52 111.232 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 30.02 76.48 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.646 -0.788 . . . . 71.31 111.349 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.501 ' HB2' HD12 ' A' ' 19' ' ' LEU . 49.5 p-90 -95.97 139.22 32.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.67 0.748 . . . . 75.23 112.572 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 3.2 mpt_? -124.72 114.8 19.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.833 -1.076 . . . . 71.53 109.256 173.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.95 112.11 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 71.24 110.136 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -80.2 -40.36 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.062 -0.517 . . . . 74.14 109.65 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -157.76 156.15 31.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.426 -0.807 . . . . 72.12 109.867 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.422 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -78.2 -139.81 1.49 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.763 -0.732 . . . . 64.42 111.684 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.609 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 1.7 pp20? -78.62 97.93 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.159 0.98 . . . . 75.21 110.204 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.578 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -111.81 166.41 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.435 -1.257 . . . . 74.23 109.155 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -45.64 128.34 8.36 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.401 0.438 . . . . 75.44 111.909 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.677 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.1 tpt180 -52.54 -52.4 55.06 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.79 -0.641 . . . . 64.14 111.748 -176.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.51 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 71.21 110.995 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.33 93.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 75.34 111.405 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.6 m -62.4 -50.39 71.73 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.79 0.329 . . . . 53.12 110.739 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.51 -47.69 84.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.63 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.61 -42.91 75.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.128 0.489 . . . . 63.52 110.455 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.7 -51.56 67.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.44 -0.8 . . . . 62.33 111.579 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.68 -34.75 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.807 0.299 . . . . 74.32 111.807 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.16 -32.56 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.33 0.11 . . . . 74.35 111.1 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.2 mttp . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.963 0.411 . . . . 75.4 110.38 172.321 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.18 -0.304 . . . . 60.11 110.18 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.625 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -128.21 145.69 50.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.372 -0.376 . . . . 74.42 110.472 -178.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.855 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 6.6 m-30 -115.57 164.13 14.76 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.325 177.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.16 100.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 73.35 109.501 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 39' ' ' TRP . 14.9 tp -109.34 128.0 54.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.416 -0.587 . . . . 73.41 109.416 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.24 132.45 71.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.062 0.458 . . . . 65.21 111.013 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -92.63 160.37 15.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 70.05 109.129 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.38 -19.72 65.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.26 0.552 . . . . 75.41 110.721 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -102.34 2.19 36.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.894 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -119.32 166.6 12.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.048 -0.524 . . . . 72.21 110.838 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -113.08 -35.07 5.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 74.12 110.651 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.445 ' HB2' HG22 ' A' ' 55' ' ' VAL . 46.6 p-80 -166.21 127.92 1.85 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.585 -0.28 . . . . 71.22 111.633 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.6 m -145.71 136.62 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.256 0.551 . . . . 74.25 110.816 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.9 114.65 28.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.488 -0.56 . . . . 62.1 109.488 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -118.07 122.77 30.09 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.097 -173.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 34.4 Cg_endo -65.53 144.34 78.79 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.524 2.149 . . . . 74.14 112.317 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -74.35 -1.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 74.32 111.113 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -96.57 5.05 51.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.754 -0.657 . . . . 63.22 109.503 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.6 163.78 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.719 -0.673 . . . . 74.2 111.007 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -75.98 140.26 41.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 73.54 110.971 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mt -116.61 117.4 38.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 72.42 109.834 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -86.33 -104.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.053 2.502 . . . . 52.44 113.753 -172.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.49 164.98 33.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.791 -0.448 . . . . 64.52 109.791 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.79 29.63 62.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.573 -0.822 . . . . 71.31 111.89 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.497 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.7 p-90 -119.14 156.08 30.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.143 0.497 . . . . 75.23 111.587 -174.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -137.02 129.81 30.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.554 -0.748 . . . . 71.53 110.274 172.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.13 105.86 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.284 -0.636 . . . . 71.24 109.284 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -77.03 -36.32 24.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 74.14 110.595 -176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.527 ' HE1' ' HB1' ' A' ' 46' ' ' ALA . 64.5 t-80 -154.88 150.26 27.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 72.12 109.672 -177.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.56 -151.05 5.33 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.086 -0.578 . . . . 64.42 112.431 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.855 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.12 98.26 8.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.499 1.143 . . . . 75.21 111.939 -173.053 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.625 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.98 165.87 15.33 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 113.517 -1.674 . . . . 74.23 108.644 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.9 m -43.91 130.38 5.78 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.516 0.51 . . . . 75.44 111.386 -176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -50.9 -49.4 59.51 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.965 -0.562 . . . . 64.14 111.509 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.882 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.21 81.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 75.34 110.651 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.429 ' O ' HG21 ' A' ' 55' ' ' VAL . 84.9 m -65.81 -45.84 80.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 53.12 110.63 177.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 74.4 mt -59.23 -49.59 77.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.883 176.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.42 -45.48 88.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.234 0.54 . . . . 63.52 110.61 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.22 -0.9 . . . . 62.33 111.31 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 26' ' ' HIS . 28.7 m -72.58 -34.89 49.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.27 0.47 . . . . 74.32 112.27 -175.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 42.1 mt-10 -72.1 -29.98 64.63 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.912 -0.315 . . . . 74.35 110.643 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 mttp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.474 175.066 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.096 0.474 . . . . 60.11 111.453 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.629 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -146.09 145.84 30.69 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.682 -0.69 . . . . 74.42 109.876 -175.462 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.492 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -113.23 158.28 20.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 73.11 110.793 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 t -89.56 97.39 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.852 -0.796 . . . . 73.35 108.852 174.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.495 HD13 ' HB2' ' A' ' 39' ' ' TRP . 28.2 tp -108.37 137.01 47.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 73.41 110.631 -174.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.56 145.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.114 -0.698 . . . . 65.21 109.114 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -116.17 -169.56 1.63 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.246 -0.65 . . . . 70.05 109.246 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.8 -43.68 24.81 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.42 -0.512 . . . . 75.41 111.147 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -7.05 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.408 . . . . 75.54 110.987 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -112.33 126.94 55.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.587 -0.894 . . . . 72.21 108.587 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -103.95 4.1 34.28 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.69 0.626 . . . . 74.12 112.69 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -165.66 127.66 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 71.22 111.369 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -150.21 107.1 3.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.534 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -79.31 98.51 6.71 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.195 -1.039 . . . . 62.1 108.195 171.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -107.47 117.42 55.92 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.371 -0.832 . . . . 74.32 110.544 -169.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 23.0 Cg_exo -64.96 150.65 87.82 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.879 2.386 . . . . 74.14 112.382 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' PHE . 27.7 m -76.34 -169.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.569 . . . . 74.32 110.733 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 67.8 t80 74.11 -49.32 0.67 Allowed 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.589 0.555 . . . . 63.22 111.07 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.28 154.33 41.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.827 0.346 . . . . 74.2 111.168 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.12 143.45 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.89 0.376 . . . . 73.54 111.037 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.0 mt -98.73 140.7 21.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.914 -0.584 . . . . 72.42 110.222 -176.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.18 -159.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.356 2.704 . . . . 52.44 113.083 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.7 148.2 43.01 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.879 0.371 . . . . 64.52 111.215 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.85 29.78 33.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.892 -0.67 . . . . 71.31 112.467 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.524 ' CE3' HG23 ' A' ' 41' ' ' VAL . 29.4 p-90 -87.24 174.62 8.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.31 0.576 . . . . 75.23 112.207 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.5 113.98 9.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.162 -0.926 . . . . 71.53 109.179 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' CE3' ' A' ' 39' ' ' TRP . 82.3 t -94.02 120.87 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.697 0.284 . . . . 71.24 110.272 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.9 t -83.25 -40.84 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 74.14 110.712 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -166.59 156.06 11.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.036 -0.529 . . . . 72.12 110.025 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -72.53 -150.67 1.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 O-C-N 123.496 0.497 . . . . 64.42 112.979 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.03 97.85 8.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.659 0.742 . . . . 75.21 111.186 -173.468 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.583 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -109.67 166.46 10.88 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.045 -1.434 . . . . 74.23 108.478 173.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 m -44.09 128.14 5.73 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 123.159 0.287 . . . . 75.44 111.626 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 4.0 tmt_? -52.82 -47.55 67.57 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.0 -0.546 . . . . 64.14 111.014 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.55 88.88 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.718 -0.673 . . . . 71.21 111.1 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.43 -30.81 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.549 -0.296 . . . . 75.34 110.813 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB3' HD11 ' A' ' 28' ' ' LEU . 78.1 m -69.61 -48.08 61.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.435 -0.348 . . . . 53.12 110.109 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -57.15 -44.46 83.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.348 -0.387 . . . . 74.21 110.535 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.21 -44.71 75.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.256 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -62.48 -51.42 67.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.098 -0.955 . . . . 62.33 111.156 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.71 -34.89 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.11 0.411 . . . . 74.32 112.11 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.3 -39.7 68.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.604 0.24 . . . . 74.35 111.199 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.615 0.245 . . . . 75.4 111.545 178.372 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.786 -0.45 . . . . 60.11 109.786 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.796 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 1.3 p90 -123.6 145.53 48.85 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.306 -0.407 . . . . 74.42 110.269 -176.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -117.81 157.11 27.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.073 -0.512 . . . . 73.11 109.778 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.848 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 90.4 t -91.35 97.33 7.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.79 0.805 . . . . 73.35 108.972 173.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 39' ' ' TRP . 40.6 tp -103.82 153.93 20.17 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.886 -1.052 . . . . 73.41 109.338 -176.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.41 130.26 17.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.348 -0.541 . . . . 65.21 110.265 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.488 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 90.9 m-20 -84.09 150.51 25.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.444 -0.947 . . . . 70.05 108.444 172.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.45 -27.09 68.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.104 0.478 . . . . 75.41 110.82 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.48 6.38 48.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.819 -0.628 . . . . 75.54 111.744 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 3.5 t70 -117.04 -173.0 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.607 0.241 . . . . 72.21 110.428 -175.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -111.1 -49.79 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 74.12 110.632 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -165.96 128.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.457 -0.338 . . . . 71.22 110.572 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 m -125.85 104.18 8.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.07 0.462 . . . . 74.25 111.119 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.96 98.74 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.764 -0.828 . . . . 62.1 108.764 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -115.07 116.07 42.66 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 74.32 110.859 -169.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.796 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 7.6 Cg_exo -73.0 140.87 32.12 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.836 2.357 . . . . 74.14 111.618 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.74 -7.33 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.028 0.442 . . . . 74.32 111.228 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.13 -24.99 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.518 -0.765 . . . . 63.22 109.575 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.19 148.54 24.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.76 -0.655 . . . . 74.2 109.723 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -73.18 133.64 44.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.859 0.361 . . . . 73.54 111.211 -176.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.5 mt -87.36 127.87 57.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 72.42 111.0 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.51 -149.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.468 2.779 . . . . 52.44 111.777 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.97 156.05 46.89 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 122.182 -0.324 . . . . 64.52 110.274 173.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 29.91 5.2 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.91 -0.662 . . . . 71.31 111.662 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.462 ' HB2' HD13 ' A' ' 19' ' ' LEU . 45.0 p-90 -129.74 -179.97 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.311 0.577 . . . . 75.23 111.912 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -150.0 130.77 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.062 -0.972 . . . . 71.53 109.372 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.437 HG21 ' CZ3' ' A' ' 39' ' ' TRP . 95.3 t -87.69 120.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.474 -0.565 . . . . 71.24 109.474 176.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.508 HG23 HG13 ' A' ' 18' ' ' VAL . 1.7 m -105.78 -2.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.507 -0.315 . . . . 74.14 111.814 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.848 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 34.3 t60 -170.96 139.9 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.684 -0.487 . . . . 72.12 109.684 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.97 -153.12 25.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 64.42 112.802 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.12 98.53 9.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 122.604 1.193 . . . . 75.21 111.925 -176.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.685 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -137.59 166.07 24.81 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.112 -1.404 . . . . 74.23 108.023 172.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -37.23 127.82 0.99 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.034 0.834 . . . . 75.44 112.3 -173.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -64.24 -37.47 87.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 64.14 110.536 -172.399 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.46 90.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 71.21 111.098 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.54 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 75.34 110.604 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.42 ' HB3' HG21 ' A' ' 18' ' ' VAL . 72.8 m -65.52 -43.94 88.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.1 -0.5 . . . . 53.12 110.806 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.44 -44.59 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 74.21 109.977 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' CG ' ' HZ2' ' A' ' 57' ' ' LYS . 22.4 t70 -62.19 -40.39 95.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.474 -0.33 . . . . 63.52 110.532 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -60.09 -50.69 72.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.123 -0.489 . . . . 62.33 111.165 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.71 -35.29 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 74.32 111.372 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -72.73 -29.76 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.846 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HZ2' ' CG ' ' A' ' 53' ' ' ASP . 50.6 mttp . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 75.4 110.777 174.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.486 ' H ' ' HE2' ' A' ' 32' ' ' PHE . . . . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.928 0.394 . . . . 60.11 110.327 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -131.71 145.56 51.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.919 -0.582 . . . . 74.42 110.286 -177.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -114.8 162.25 17.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.373 . . . . 73.11 110.742 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -90.43 97.18 6.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.964 -0.754 . . . . 73.35 108.964 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 39' ' ' TRP . 29.9 tp -111.07 129.03 56.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 73.41 111.185 -171.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -120.75 143.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.82 -0.807 . . . . 65.21 108.82 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.919 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 39.4 m-80 -120.33 -168.91 1.71 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.724 0.297 . . . . 70.05 110.513 -177.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -67.25 -45.02 77.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.123 -0.489 . . . . 75.41 111.224 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.87 -7.15 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.651 0.263 . . . . 75.54 111.629 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.919 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 15.1 m-20 -92.46 106.01 18.08 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.66 -0.496 . . . . 72.21 109.66 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -66.08 -43.49 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.5 -0.773 . . . . 74.12 111.772 -169.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.775 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 37.1 p-80 -160.21 128.28 4.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.958 0.409 . . . . 71.22 110.688 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 m -143.42 135.69 27.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.066 0.46 . . . . 74.25 111.08 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.5 mm? -89.29 102.55 15.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.793 -0.817 . . . . 62.1 108.793 172.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -107.41 126.26 30.42 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.814 -0.63 . . . . 74.32 110.952 -170.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -63.05 131.04 31.0 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.853 2.369 . . . . 74.14 112.222 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.69 -24.63 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.54 -0.755 . . . . 74.32 111.247 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.486 ' HE2' ' H ' ' A' ' 15' ' ' ALA . 95.1 m-85 -86.97 6.45 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 63.22 111.251 -178.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.56 131.63 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.228 -0.442 . . . . 74.2 109.922 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -57.08 127.5 32.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 73.54 111.167 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mt -92.8 132.27 31.63 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.228 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.18 -151.27 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.688 2.925 . . . . 52.44 112.511 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.32 142.63 51.08 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.933 -0.48 . . . . 64.52 110.344 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.53 29.9 3.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 71.31 111.521 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.48 ' CZ3' HG22 ' A' ' 41' ' ' VAL . 53.5 p-90 -122.78 172.33 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.52 0.676 . . . . 75.23 111.905 -173.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -148.29 125.5 11.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.069 -0.969 . . . . 71.53 109.129 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.48 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 92.9 t -88.34 110.04 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.917 -0.401 . . . . 71.24 109.917 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -76.24 -37.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.057 0.456 . . . . 74.14 110.285 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -153.28 149.9 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.854 -0.612 . . . . 72.12 110.498 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.68 -157.3 5.53 Favored Glycine 0 N--CA 1.449 -0.463 0 O-C-N 123.719 0.637 . . . . 64.42 112.522 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.6 pt-20 -77.17 97.77 4.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.799 0.809 . . . . 75.21 111.15 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.537 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.64 166.52 13.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.477 -1.238 . . . . 74.23 109.148 177.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 m -37.88 128.21 1.22 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.625 0.578 . . . . 75.44 112.438 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.577 HH11 HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -56.4 -46.95 79.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.734 -0.667 . . . . 64.14 111.616 -175.249 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.5 98.77 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.062 0.458 . . . . 71.21 110.755 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.673 -0.694 . . . . 75.34 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.503 ' HB3' HD11 ' A' ' 28' ' ' LEU . 85.4 m -65.19 -44.86 87.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 53.12 111.279 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.577 HD23 HH11 ' A' ' 48' ' ' ARG . 4.3 mm? -60.04 -47.96 83.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.671 0.272 . . . . 74.21 110.956 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' CG ' ' HZ2' ' A' ' 57' ' ' LYS . 18.6 t70 -55.76 -46.15 77.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.722 0.772 . . . . 63.52 109.776 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.72 -51.6 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.593 -1.185 . . . . 62.33 111.456 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.775 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.8 m -67.16 -34.72 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 74.32 111.762 -174.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.91 -46.5 57.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.553 -0.294 . . . . 74.35 110.622 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HZ2' ' CG ' ' A' ' 53' ' ' ASP . 84.9 mttt . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 120.743 0.306 . . . . 75.4 111.702 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.43 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.141 0.496 . . . . 60.11 111.303 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -136.3 148.83 48.14 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.64 -0.709 . . . . 74.42 109.38 -177.106 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.529 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.0 m-85 -113.56 158.47 20.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 120.838 0.351 . . . . 73.11 110.735 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -83.97 97.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.258 -0.645 . . . . 73.35 109.258 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 39' ' ' TRP . 25.5 tp -108.6 128.31 54.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.799 -173.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.8 t -117.35 130.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.044 -0.354 . . . . 65.21 110.044 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.7 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.5 t30 -99.76 154.57 18.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.763 -0.653 . . . . 70.05 109.336 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.44 -40.74 79.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 75.41 111.261 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.88 25.76 6.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.932 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.7 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 17.4 t70 -134.43 168.03 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.682 -0.488 . . . . 72.21 109.682 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -108.2 -41.58 4.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.964 0.412 . . . . 74.12 110.418 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -165.65 127.53 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.848 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.7 m -140.95 142.25 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.949 -0.569 . . . . 74.25 110.912 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.729 ' HG ' ' HG2' ' A' ' 48' ' ' ARG . 4.4 mm? -107.53 102.8 12.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.339 -0.615 . . . . 62.1 109.339 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.2 t-105 -107.76 130.12 23.24 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 74.32 110.518 -171.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 33.1 Cg_exo -58.94 148.76 83.04 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.102 2.535 . . . . 74.14 113.16 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.444 HG11 ' HD2' ' A' ' 32' ' ' PHE . 12.8 p -77.11 149.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 74.32 109.93 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.444 ' HD2' HG11 ' A' ' 31' ' ' VAL . 84.5 m-85 71.13 5.91 5.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.049 0.54 . . . . 63.22 111.245 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.06 156.66 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 136.23 48.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.743 0.306 . . . . 73.54 110.409 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.86 131.17 24.26 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 72.42 109.956 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.4 -163.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.066 2.511 . . . . 52.44 112.459 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.83 159.81 15.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.463 -0.335 . . . . 64.52 110.671 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.02 29.49 31.24 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.285 -0.484 . . . . 71.31 112.082 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.49 ' HB2' HD12 ' A' ' 19' ' ' LEU . 68.4 p-90 -104.5 161.86 13.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.232 0.539 . . . . 75.23 111.51 -174.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -148.77 117.28 6.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.322 -0.854 . . . . 71.53 109.495 173.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 97.6 t -84.09 118.23 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.458 -0.337 . . . . 71.24 110.234 178.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.12 -36.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.275 0.56 . . . . 74.14 110.271 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -161.33 155.56 22.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.058 -0.719 . . . . 72.12 109.058 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.529 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -69.12 -132.0 0.06 OUTLIER Glycine 0 C--N 1.334 0.441 0 O-C-N 123.382 0.426 . . . . 64.42 113.274 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.22 97.56 11.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.042 1.401 . . . . 75.21 110.95 -173.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.47 152.85 37.44 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 113.249 -1.796 . . . . 74.23 109.14 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 m -46.34 128.39 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.698 0.623 . . . . 75.44 111.585 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HG2' ' HG ' ' A' ' 28' ' ' LEU . 4.8 tmm_? -58.79 -37.93 77.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.526 -0.761 . . . . 64.14 110.853 -172.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.66 89.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 71.21 111.046 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.3 -33.05 75.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.366 -0.379 . . . . 75.34 111.15 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.426 ' CB ' HD11 ' A' ' 28' ' ' LEU . 67.0 m -66.61 -46.37 76.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.327 -0.397 . . . . 53.12 110.469 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.02 -45.15 87.39 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.357 -0.383 . . . . 74.21 110.207 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.51 -48.03 75.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 63.52 110.58 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -57.07 -51.8 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.64 . . . . 62.33 111.726 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.19 -39.52 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.703 -0.399 . . . . 74.32 111.355 -174.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.29 -30.66 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.432 -0.349 . . . . 74.35 111.472 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mttp . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.846 0.355 . . . . 75.4 111.332 176.416 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 60.11 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.2 p90 -119.42 145.51 46.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.7 0.286 . . . . 74.42 110.832 -176.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -119.79 157.03 29.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.309 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.32 102.12 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.344 -0.613 . . . . 73.35 109.344 174.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 39' ' ' TRP . 12.4 tp -110.02 138.83 45.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.791 -0.641 . . . . 73.41 110.597 -173.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.591 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 93.3 t -108.7 140.39 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.883 -0.599 . . . . 65.21 109.593 173.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 26.8 t-20 -103.76 159.63 15.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.095 -0.502 . . . . 70.05 110.207 -177.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.64 -45.65 48.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 75.41 112.167 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -114.09 -7.11 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.612 0.597 . . . . 75.54 112.612 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 11.4 t70 -111.05 151.97 27.42 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.236 -0.585 . . . . 72.21 110.844 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -72.54 -52.28 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 74.12 112.163 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -157.35 139.03 14.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.99 0.424 . . . . 71.22 111.798 -173.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 m -147.3 132.23 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.096 -0.502 . . . . 74.25 110.287 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' A' ' 51' ' ' CYS . 4.6 mm? -82.36 111.37 18.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.176 -0.676 . . . . 62.1 109.176 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -107.36 116.07 58.6 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.895 -0.593 . . . . 74.32 110.558 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.05 139.22 38.7 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.683 2.256 . . . . 74.14 112.106 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.68 -2.57 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.235 0.541 . . . . 74.32 110.48 177.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -64.83 -25.84 68.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.455 -0.793 . . . . 63.22 109.977 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.04 158.03 19.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.562 . . . . 74.2 110.073 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.66 143.49 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 73.54 111.206 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.35 115.33 57.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 72.42 109.535 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.65 -105.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.911 2.407 . . . . 52.44 113.802 -171.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.77 161.55 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.122 -0.325 . . . . 64.52 110.122 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.93 29.65 72.45 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.966 -0.854 . . . . 71.31 110.966 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TRP . . . . . 0.508 ' HB2' HD13 ' A' ' 19' ' ' LEU . 65.6 p-90 -105.97 148.05 28.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.103 -0.549 . . . . 75.23 111.082 -175.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.591 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 42.2 ttt-85 -135.45 114.22 11.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.836 -0.62 . . . . 71.53 109.445 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -86.81 113.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.76 0.314 . . . . 71.24 110.198 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -92.21 -33.66 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.511 . . . . 74.14 110.697 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . 0.516 ' HE1' ' HB1' ' A' ' 46' ' ' ALA . 39.9 t-80 -152.49 145.58 24.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.082 -0.508 . . . . 72.12 109.985 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.68 -151.53 16.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.865 -0.683 . . . . 64.42 112.601 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.98 98.02 11.53 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 122.886 1.327 . . . . 75.21 111.614 -173.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.575 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -135.49 166.32 23.46 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 112.842 -1.981 . . . . 74.23 108.333 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m -31.48 127.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.343 1.027 . . . . 75.44 113.086 -173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.3 tmm_? -64.04 -37.17 86.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.543 -0.753 . . . . 64.14 110.712 -173.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.36 84.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.599 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.54 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.539 . . . . 75.34 110.676 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.499 ' HB3' HD12 ' A' ' 28' ' ' LEU . 72.8 m -62.53 -50.99 69.18 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.096 -0.502 . . . . 53.12 110.937 177.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.44 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 6.8 mp -54.73 -49.43 70.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.029 -0.532 . . . . 74.21 111.238 176.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.464 ' CG ' ' HZ3' ' A' ' 57' ' ' LYS . 21.2 t70 -61.2 -41.9 97.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 63.52 110.641 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.88 -45.65 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 62.33 110.668 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.26 -34.47 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.603 -0.439 . . . . 74.32 111.362 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 45.5 mt-10 -67.35 -29.5 69.06 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.682 0.253 . . . . 74.35 111.682 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HZ3' ' CG ' ' A' ' 53' ' ' ASP . 55.5 mttp . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 113.249 0.833 . . . . 75.4 113.249 179.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 112.056 -0.418 . . . . 51.44 112.056 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -109.49 130.23 55.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.834 0.349 . . . . 75.52 110.636 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -106.08 7.27 31.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.362 0.601 . . . . 75.34 109.675 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.5 tpp -59.99 106.98 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.393 -0.821 . . . . 71.13 110.493 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -95.9 88.81 5.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.125 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.06 -32.27 26.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.944 -0.571 . . . . 73.13 111.438 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -117.82 99.25 52.13 Favored Pre-proline 0 C--N 1.326 -0.415 0 C-N-CA 120.663 -0.415 . . . . 71.44 110.62 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -94.34 -14.51 0.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.14 2.56 . . . . 72.23 111.976 173.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -110.85 99.09 8.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.904 -0.589 . . . . 74.45 110.142 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.23 -52.59 11.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.03 0.443 . . . . 73.42 109.85 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.45 144.31 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 71.44 109.197 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.13 119.23 24.74 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.917 0.389 . . . . 73.51 110.712 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -100.19 -66.39 0.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.391 0.515 . . . . 55.12 112.391 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.83 -137.35 4.66 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.187 -1.006 . . . . 51.13 113.357 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' HB1' ' HB ' ' A' ' 31' ' ' VAL . . . -64.46 167.39 7.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.032 0.444 . . . . 60.11 111.451 -177.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.642 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -154.71 146.65 23.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.937 -0.574 . . . . 74.42 110.105 -175.744 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -120.71 158.16 28.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.261 -0.427 . . . . 73.11 110.307 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.415 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 66.5 t -90.41 98.8 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.787 -0.82 . . . . 73.35 108.787 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.492 HD11 ' HB2' ' A' ' 39' ' ' TRP . 27.8 tp -113.48 128.3 56.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.672 -0.694 . . . . 73.41 110.495 -172.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 26' ' ' HIS . 47.0 t -129.12 130.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.668 -0.493 . . . . 65.21 109.668 176.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.532 ' ND2' ' HB2' ' A' ' 24' ' ' ASP . 10.3 p30 -105.09 173.16 6.42 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.564 -0.532 . . . . 70.05 109.564 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.21 -24.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.023 0.379 . . . . 75.41 112.023 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -101.79 10.79 39.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.707 0.262 . . . . 75.54 111.707 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.532 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.8 t70 -116.0 -174.35 2.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.2 -0.296 . . . . 72.21 110.2 -177.132 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.49 -50.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.718 -0.219 . . . . 74.12 110.787 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.492 ' HA ' HG21 ' A' ' 20' ' ' VAL . 45.8 p-80 -165.65 127.79 2.02 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.388 . . . . 71.22 109.954 172.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -145.0 145.16 31.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.44 0.638 . . . . 74.25 111.957 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -98.54 116.03 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.396 -0.82 . . . . 62.1 109.084 172.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 66.8 t-105 -107.48 115.99 58.54 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.128 -175.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 23.5 Cg_exo -65.1 131.97 30.37 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.782 2.322 . . . . 74.14 112.526 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.411 ' HB ' ' HB1' ' A' ' 15' ' ' ALA . 42.7 t -75.97 77.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 122.069 0.938 . . . . 74.32 109.432 177.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.53 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.254 -1.339 . . . . 63.22 108.014 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.86 163.75 13.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.097 -0.956 . . . . 74.2 109.153 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.27 143.56 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.907 0.384 . . . . 73.54 110.691 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.8 mt -87.0 124.73 68.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 72.42 109.926 178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -106.21 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.864 2.376 . . . . 52.44 113.671 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.02 160.36 43.69 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 122.04 -0.412 . . . . 64.52 110.645 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.76 29.63 63.0 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.862 -0.685 . . . . 71.31 112.075 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.492 ' HB2' HD11 ' A' ' 19' ' ' LEU . 52.7 p-90 -110.05 174.69 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.416 0.627 . . . . 75.23 111.99 -174.007 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -153.5 127.97 9.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.028 -0.987 . . . . 71.53 109.378 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.59 118.96 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.875 0.369 . . . . 71.24 110.205 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.15 -26.55 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.218 -0.446 . . . . 74.14 110.503 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.415 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . 66.0 t60 -165.1 144.84 6.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 72.12 109.914 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.35 -164.49 40.2 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.788 -0.72 . . . . 64.42 112.996 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -74.18 98.72 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.201 1.0 . . . . 75.21 111.726 -177.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.642 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -134.44 166.04 23.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.434 -1.257 . . . . 74.23 108.268 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -30.89 128.31 0.14 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.495 0.924 . . . . 75.44 113.495 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 9.5 tpt180 -54.33 -46.89 72.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.498 -0.774 . . . . 64.14 111.285 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.01 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 71.21 110.931 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.56 -39.49 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.587 . . . . 75.34 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.501 ' HB3' HD13 ' A' ' 28' ' ' LEU . 71.4 m -68.5 -44.43 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 53.12 110.765 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 HD22 ' HG ' ' A' ' 28' ' ' LEU . 4.3 mm? -61.82 -46.24 90.36 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 110.175 -0.306 . . . . 74.21 110.175 175.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.661 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 25.9 t70 -55.79 -53.31 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 63.52 110.082 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.426 ' HE1' ' HG3' ' A' ' 65' ' ' LYS . 77.0 t80 -54.84 -50.96 67.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.29 -0.414 . . . . 62.33 111.939 -178.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 m -65.71 -37.57 80.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.857 -0.337 . . . . 74.32 111.398 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.47 -34.34 67.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.356 -0.384 . . . . 74.35 110.722 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.661 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 20.5 mtpp -58.68 -49.19 78.46 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 109.793 -0.447 . . . . 75.4 109.793 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -68.02 -31.5 71.22 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.165 -0.471 . . . . 73.12 111.105 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -69.35 -29.53 67.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.157 0.503 . . . . 74.44 110.122 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.1 m -86.87 -48.9 7.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.661 -0.699 . . . . 74.12 110.527 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -121.01 112.92 19.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.38 -0.827 . . . . 35.34 109.712 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.474 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 3.5 mm? -76.37 76.21 3.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 75.53 111.036 -174.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 25.3 mtp180 -147.74 93.53 4.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.613 -0.722 . . . . 73.24 109.811 176.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.67 142.77 54.07 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.764 2.309 . . . . 64.34 111.908 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 65' ' ' LYS . 27.3 mtpp -83.18 76.67 9.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.793 0.33 . . . . 73.1 111.157 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t 65.18 100.66 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.188 -0.914 . . . . 53.54 111.598 176.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 pp -92.31 -14.43 28.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.37 0.605 . . . . 63.32 109.763 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -97.98 149.02 22.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.402 -0.817 . . . . 74.11 109.412 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.1 72.17 0.53 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.733 0.778 . . . . 51.44 110.568 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.1 -19.82 1.72 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.269 -0.878 . . . . 74.14 110.339 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -143.76 143.95 31.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.554 -0.748 . . . . 54.31 109.259 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.5 102.36 13.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.053 0.454 . . . . 75.55 111.0 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -79.15 80.85 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.856 0.836 . . . . 71.22 109.881 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 C--O 1.246 0.869 0 CA-C-N 115.299 -0.864 . . . . 62.35 109.639 -175.154 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 110.835 -0.906 . . . . 51.44 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -92.75 21.47 5.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.853 0.686 . . . . 75.52 112.853 -170.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -93.1 110.55 22.04 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.048 -0.723 . . . . 75.34 109.048 172.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.94 68.53 9.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.624 0.726 . . . . 71.13 111.427 -175.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -156.55 114.15 3.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.445 -0.798 . . . . 73.33 109.685 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.3 p -73.54 110.19 7.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.566 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 3.1 m-20 -59.82 115.98 15.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.633 -0.712 . . . . 71.44 111.792 -175.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.462 ' HD2' ' CD2' ' A' ' 9' ' ' PHE . 4.6 Cg_endo -87.53 0.62 7.23 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.162 2.574 . . . . 72.23 111.727 175.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.462 ' CD2' ' HD2' ' A' ' 8' ' ' PRO . 42.0 p90 -132.64 162.8 30.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.923 -0.581 . . . . 74.45 110.353 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -81.2 162.31 23.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.13 -0.486 . . . . 73.42 110.408 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -83.01 81.15 8.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.899 0.857 . . . . 71.44 110.651 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.44 101.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.457 -0.792 . . . . 73.51 109.166 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -120.53 164.13 16.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 55.12 111.309 -170.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.29 -156.83 52.95 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.402 -0.817 . . . . 51.13 112.264 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.63 174.95 6.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.909 -0.404 . . . . 60.11 109.909 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.531 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -139.5 145.68 39.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.846 -0.427 . . . . 74.42 109.846 177.165 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -110.22 157.56 19.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.712 0.292 . . . . 73.11 110.737 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.449 HG11 ' HB ' ' A' ' 42' ' ' VAL . 17.4 t -88.12 97.51 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.136 -0.69 . . . . 73.35 109.136 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' A' ' 39' ' ' TRP . 15.7 tp -114.73 164.73 13.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.196 -0.456 . . . . 73.41 109.838 -173.422 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.24 130.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 120.838 0.352 . . . . 65.21 110.059 170.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.02 151.23 21.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 70.05 110.076 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -50.69 -38.19 45.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 75.41 112.246 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -101.81 5.49 41.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.808 0.299 . . . . 75.54 111.808 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -117.95 160.7 21.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 72.21 111.174 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -80.06 -45.01 19.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.273 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -165.68 127.94 2.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.778 0.323 . . . . 71.22 110.855 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -120.67 116.05 24.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 74.25 111.612 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 102.28 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.29 0.567 . . . . 62.1 109.631 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -107.41 120.14 48.53 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 74.32 110.615 -171.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.52 134.3 40.75 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.093 2.528 . . . . 74.14 112.65 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.58 76.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.495 -0.775 . . . . 74.32 109.239 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -159.17 -36.48 0.06 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.987 -1.006 . . . . 63.22 109.489 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.53 163.57 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 74.2 109.853 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.91 143.3 55.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 73.54 110.871 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.7 mt -79.68 123.29 84.09 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.034 -0.358 . . . . 72.42 110.034 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 -155.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.21 2.606 . . . . 52.44 112.258 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.43 173.83 6.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.089 -0.337 . . . . 64.52 110.089 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.26 29.97 69.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 71.31 112.039 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.52 ' HB2' HD11 ' A' ' 19' ' ' LEU . 59.5 p-90 -108.53 147.61 31.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.189 0.519 . . . . 75.23 111.798 -173.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 40' ' ' ARG . 38.6 ttt180 -135.63 129.16 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.803 -0.814 . . . . 71.53 108.803 167.812 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.56 119.0 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.881 0.372 . . . . 71.24 110.059 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.449 ' HB ' HG11 ' A' ' 18' ' ' VAL . 40.3 t -83.6 -41.76 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.919 -0.582 . . . . 74.14 109.685 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.61 169.2 20.55 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.757 -0.656 . . . . 72.12 109.887 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' HA2' ' CE2' ' A' ' 17' ' ' PHE . . . -80.27 -141.63 2.73 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.932 -0.652 . . . . 64.42 113.099 -175.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.483 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -88.44 98.08 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.068 0.937 . . . . 75.21 110.392 -178.374 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.531 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.65 166.0 15.58 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.841 -1.527 . . . . 74.23 109.429 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.7 m -44.76 128.53 6.82 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.485 0.49 . . . . 75.44 111.227 -178.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -54.66 -54.05 46.81 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.155 -0.475 . . . . 64.14 111.46 -173.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.41 77.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 71.21 111.028 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.64 -35.25 75.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 75.34 110.954 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.403 ' O ' HG22 ' A' ' 55' ' ' VAL . 64.5 m -64.23 -51.09 65.34 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.108 -0.331 . . . . 53.12 110.108 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 96.4 mt -55.66 -47.68 76.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.806 -0.634 . . . . 74.21 110.195 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.51 -52.96 61.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.255 -0.884 . . . . 63.52 110.988 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -58.27 -51.27 70.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.814 -0.63 . . . . 62.33 111.809 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 51' ' ' CYS . 28.8 m -66.08 -41.35 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.68 -0.408 . . . . 74.32 111.659 -174.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 18.5 mt-10 -72.64 -31.23 64.95 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.812 -0.355 . . . . 74.35 111.562 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.929 ' HE3' ' HA ' ' A' ' 69' ' ' ASP . 42.0 mttp -67.89 -25.99 65.78 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.765 0.283 . . . . 75.4 111.765 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -69.4 -30.16 68.07 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.805 -0.443 . . . . 73.12 109.805 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.7 t90 53.09 89.82 0.03 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.015 -0.993 . . . . 74.44 112.748 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.5 t -112.73 -3.64 14.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.963 0.887 . . . . 74.12 108.938 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -97.89 -157.21 0.58 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.61 -1.177 . . . . 35.34 110.719 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 mp -126.81 13.72 7.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.395 -0.366 . . . . 75.53 110.701 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.8 ttm105 -96.52 117.5 66.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 73.24 110.289 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -89.24 100.16 0.35 Allowed 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.657 2.238 . . . . 64.34 112.743 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -125.45 131.08 52.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.883 -0.784 . . . . 73.1 108.883 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.516 ' HA ' ' OD1' ' A' ' 69' ' ' ASP . 66.0 m -150.14 121.24 7.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.386 0.612 . . . . 53.54 111.948 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.721 ' HG ' ' H ' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -122.26 -65.3 1.12 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.329 -0.85 . . . . 63.32 109.623 174.86 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.721 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 1.5 mpp_? -130.42 40.37 3.53 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.933 -0.765 . . . . 74.11 108.933 173.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.929 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 7.8 m-20 -84.72 89.51 7.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.602 -0.726 . . . . 51.44 111.672 -172.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.38 126.38 44.91 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.486 -0.779 . . . . 74.14 109.667 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 98.8 mmm -80.54 123.44 28.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.384 -0.371 . . . . 54.31 110.001 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.5 t -71.45 112.97 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 75.55 111.066 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -138.36 103.23 4.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.968 -0.56 . . . . 71.22 109.689 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.079 -0.962 . . . . 62.35 109.855 -178.34 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.98 -0.448 . . . . 51.44 111.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -66.69 141.8 57.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.149 -0.315 . . . . 75.52 110.149 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -152.76 152.23 31.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.796 0.332 . . . . 75.34 110.973 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -105.58 -58.72 1.86 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.851 -0.796 . . . . 71.13 108.851 171.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 p -81.91 -178.43 6.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.646 -0.707 . . . . 73.33 109.367 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -159.05 137.54 10.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.972 0.415 . . . . 73.13 110.669 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -120.55 121.55 29.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 71.44 109.803 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.98 -44.42 47.36 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.15 2.567 . . . . 72.23 113.498 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -132.58 118.54 19.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.369 0.605 . . . . 74.45 111.562 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.48 150.26 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.454 -0.794 . . . . 73.42 109.7 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.81 -16.71 22.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.021 0.378 . . . . 71.44 112.021 -176.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -88.44 -67.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.266 0.555 . . . . 73.51 110.035 -176.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -95.21 -5.46 43.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.705 -0.679 . . . . 55.12 110.436 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.34 83.44 1.07 Allowed Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.581 -0.818 . . . . 51.13 112.313 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' HB3' HG23 ' A' ' 31' ' ' VAL . . . -71.87 107.63 4.73 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.234 -0.654 . . . . 60.11 109.234 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.577 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -94.81 145.85 24.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 74.42 111.723 -172.641 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.585 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 2.2 m-85 -111.79 166.37 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.38 -0.827 . . . . 73.11 109.871 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -91.64 97.48 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.309 -0.626 . . . . 73.35 109.309 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.401 HD13 ' HB2' ' A' ' 39' ' ' TRP . 29.4 tp -108.63 128.4 54.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.78 0.324 . . . . 73.41 110.612 -174.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -114.62 143.9 23.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.869 -0.789 . . . . 65.21 108.869 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.487 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 28.6 m-80 -105.06 174.11 6.02 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.988 -0.375 . . . . 70.05 109.988 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.9 -36.01 42.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.216 0.532 . . . . 75.41 109.884 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -103.16 -6.59 22.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.687 -0.688 . . . . 75.54 111.73 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 18.8 t70 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.622 0.248 . . . . 72.21 110.699 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.424 ' HG3' ' HD1' ' A' ' 59' ' ' TRP . 13.2 mm100 -80.19 -25.93 39.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.778 1.029 . . . . 74.12 113.778 -171.408 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.499 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . 19.2 p80 -165.69 131.82 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.084 0.772 . . . . 71.22 113.084 -173.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.2 m -141.02 121.89 14.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.442 -0.799 . . . . 74.25 110.201 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.34 93.51 9.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.663 -0.865 . . . . 62.1 108.663 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -107.7 125.83 31.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.316 -0.856 . . . . 74.32 111.045 -167.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.577 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.0 Cg_endo -73.81 141.11 29.98 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.644 2.229 . . . . 74.14 112.767 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.431 HG23 ' HB3' ' A' ' 15' ' ' ALA . 29.8 m -77.95 8.3 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.838 -0.619 . . . . 74.32 111.617 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -92.86 6.13 48.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.516 0.674 . . . . 63.22 109.329 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.63 163.78 27.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.346 -0.843 . . . . 74.2 109.893 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.0 143.55 49.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.865 0.364 . . . . 73.54 111.235 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -106.2 128.62 25.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.09 -0.504 . . . . 72.42 109.801 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.43 -152.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 123.371 2.714 . . . . 52.44 111.998 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.83 154.89 46.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.705 0.288 . . . . 64.52 110.387 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.5 29.7 5.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.887 -0.673 . . . . 71.31 111.682 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.511 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 31.4 p-90 -124.78 173.23 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.372 0.605 . . . . 75.23 112.465 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.511 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 5.1 mpt_? -137.69 114.44 10.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.836 -1.074 . . . . 71.53 109.465 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.452 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 81.0 t -83.33 116.13 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.47 -0.567 . . . . 71.24 109.47 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -81.04 -40.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 74.14 110.544 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -153.95 160.96 42.31 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.912 -0.585 . . . . 72.12 109.856 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -141.02 1.53 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.694 -0.765 . . . . 64.42 112.437 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -85.82 98.08 10.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.327 1.06 . . . . 75.21 110.652 -177.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.451 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.1 166.1 15.06 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.619 -1.628 . . . . 74.23 108.984 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -47.71 128.29 12.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 75.44 111.305 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 1.7 tmm_? -61.84 -37.07 83.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 64.14 111.169 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.83 75.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.342 -0.39 . . . . 71.21 110.974 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.06 98.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 75.34 110.86 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 80.7 m -64.26 -46.29 84.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 53.12 110.92 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 74.21 110.008 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.78 -48.48 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.853 -0.612 . . . . 63.52 110.469 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -61.03 -50.82 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 62.33 111.402 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 26' ' ' HIS . 33.2 m -66.13 -36.08 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.602 0.239 . . . . 74.32 111.615 -175.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -69.35 -40.84 77.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.123 0.487 . . . . 74.35 110.772 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -82.52 -15.21 53.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.188 -0.46 . . . . 75.4 111.779 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -22.77 48.76 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.356 0.598 . . . . 73.12 109.466 169.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.424 ' HD1' ' HG3' ' A' ' 25' ' ' GLN . 69.3 t90 -77.98 -41.03 37.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.463 -0.79 . . . . 74.44 109.433 171.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -62.41 -60.85 2.97 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.97 -0.559 . . . . 74.12 109.946 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.24 88.71 4.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.728 -0.841 . . . . 35.34 108.728 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -71.29 101.11 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.225 -0.898 . . . . 75.53 109.939 -174.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -142.81 100.95 5.45 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.522 -0.763 . . . . 73.24 109.753 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.43 97.36 0.69 Allowed 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.709 2.273 . . . . 64.34 112.224 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -89.97 90.87 8.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.499 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -95.58 104.33 16.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.985 -0.552 . . . . 53.54 110.205 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.7 tp -122.55 145.99 47.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.137 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -132.76 -40.03 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.913 0.387 . . . . 74.11 110.707 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -141.39 138.45 33.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.008 -0.542 . . . . 51.44 110.463 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.06 177.92 10.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.31 -0.405 . . . . 74.14 110.126 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -78.71 80.53 5.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.996 0.427 . . . . 54.31 109.906 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.7 m -99.65 161.39 3.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.94 -0.573 . . . . 75.55 109.903 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -104.97 100.24 9.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.851 -0.426 . . . . 71.22 109.851 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.429 -0.796 . . . . 62.35 110.242 -177.475 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 112.159 -0.376 . . . . 51.44 112.159 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -79.22 146.16 33.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.865 0.364 . . . . 75.52 110.269 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.12 138.59 53.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 75.34 110.281 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptp -151.82 163.06 40.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.953 -0.567 . . . . 71.13 109.726 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -85.06 69.85 10.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.498 . . . . 73.33 110.595 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.3 p -139.33 110.21 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.608 -0.723 . . . . 73.13 109.704 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -115.19 100.04 53.11 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.67 0.748 . . . . 71.44 112.01 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -95.12 18.63 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.33 2.687 . . . . 72.23 111.348 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -97.47 -159.42 0.73 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.559 -0.746 . . . . 74.45 111.455 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.485 ' CG ' ' H ' ' A' ' 11' ' ' ASP . 16.6 t70 -86.24 -171.4 3.54 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.863 -0.608 . . . . 73.42 110.046 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.485 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 25.9 t70 -61.48 129.07 39.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.031 0.443 . . . . 71.44 111.178 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -95.98 160.79 14.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.555 -0.748 . . . . 73.51 110.584 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -80.29 -12.16 59.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 55.12 111.444 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.78 -84.81 0.67 Allowed Glycine 0 CA--C 1.503 -0.674 0 C-N-CA 120.704 -0.76 . . . . 51.13 111.888 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.84 147.68 20.18 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.057 -0.572 . . . . 60.11 110.332 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.58 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -144.81 145.59 31.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 74.42 109.546 177.643 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -119.08 167.94 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.553 . . . . 73.11 111.029 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.502 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 73.8 t -96.59 101.54 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.29 -0.868 . . . . 73.35 109.391 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.453 HD12 ' HB2' ' A' ' 39' ' ' TRP . 13.5 tp -101.05 128.41 47.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.565 -0.743 . . . . 73.41 109.896 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -129.13 143.63 40.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.358 -0.383 . . . . 65.21 109.98 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -123.3 172.76 8.4 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.696 -0.853 . . . . 70.05 108.696 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.06 -30.69 70.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.035 0.445 . . . . 75.41 110.585 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -112.93 9.41 18.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.677 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -115.71 128.79 56.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.776 -0.824 . . . . 72.21 108.776 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.94 -53.93 11.57 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.651 -0.42 . . . . 74.12 111.063 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.554 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 5.4 p-80 -167.26 127.97 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.734 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -131.8 131.78 43.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.028 0.442 . . . . 74.25 111.248 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 51' ' ' CYS . 4.2 mm? -85.05 106.31 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.895 -0.78 . . . . 62.1 108.895 172.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -109.04 116.02 56.1 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.161 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.434 ' C ' ' H ' ' A' ' 32' ' ' PHE . 21.2 Cg_exo -64.67 141.98 75.01 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.65 2.233 . . . . 74.14 111.851 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.5 t -79.25 13.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 122.178 0.99 . . . . 74.32 109.54 -179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.434 ' H ' ' C ' ' A' ' 30' ' ' PRO . 77.1 t80 -95.64 -9.15 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.914 -1.039 . . . . 63.22 109.314 175.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.07 163.64 14.46 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.483 -0.781 . . . . 74.2 110.81 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.22 143.66 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 73.54 111.956 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -117.31 120.41 33.46 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 72.42 109.438 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -85.04 -107.96 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.763 2.308 . . . . 52.44 113.353 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.84 166.75 28.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.105 -0.372 . . . . 64.52 110.627 -175.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.43 27.51 73.74 Favored Glycine 0 C--N 1.329 0.14 0 C-N-CA 120.794 -0.717 . . . . 71.31 111.934 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.523 ' C ' ' HD2' ' A' ' 40' ' ' ARG . 38.2 p-90 -101.08 154.31 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.186 0.517 . . . . 75.23 111.449 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HD2' ' C ' ' A' ' 39' ' ' TRP . 3.4 mpt_? -127.39 114.3 17.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.757 -0.656 . . . . 71.53 109.327 174.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.01 107.07 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.46 -0.571 . . . . 71.24 109.46 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -84.64 -29.17 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 74.14 110.903 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.908 ' HE1' ' HB1' ' A' ' 46' ' ' ALA . 53.5 t-80 -147.68 144.23 28.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.318 -0.401 . . . . 72.12 110.254 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.08 -158.64 29.85 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.083 -0.579 . . . . 64.42 112.815 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.451 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -80.7 98.35 7.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.256 1.027 . . . . 75.21 111.547 -176.307 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.908 ' HB1' ' HE1' ' A' ' 43' ' ' HIS . . . -146.21 166.15 27.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.76 -1.109 . . . . 74.23 108.209 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 m -31.36 127.8 0.18 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.418 1.074 . . . . 75.44 113.299 -168.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.51 ' NH1' HD13 ' A' ' 52' ' ' LEU . 2.3 tmm_? -62.91 -39.09 93.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.947 -1.024 . . . . 64.14 110.452 -173.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.291 -0.413 . . . . 71.21 111.179 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.35 87.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.225 0.536 . . . . 75.34 110.027 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.519 ' HB3' HD12 ' A' ' 28' ' ' LEU . 76.6 m -62.65 -42.29 99.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.647 -0.706 . . . . 53.12 110.344 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.51 HD13 ' NH1' ' A' ' 48' ' ' ARG . 79.5 mt -55.51 -47.88 75.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.563 -0.289 . . . . 74.21 110.815 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.47 -52.3 64.1 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.114 0.483 . . . . 63.52 110.231 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.27 -50.01 75.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.211 -0.904 . . . . 62.33 111.409 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 21.8 m -67.26 -36.66 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 111.948 0.351 . . . . 74.32 111.948 -175.11 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.94 -39.52 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 74.35 111.295 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -78.16 -15.28 58.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.328 -0.396 . . . . 75.4 111.378 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.48 15.12 22.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.305 -0.407 . . . . 73.12 111.509 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -20.62 65.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.791 0.329 . . . . 74.44 110.968 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.4 m -68.54 127.69 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 74.12 110.213 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -71.26 81.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.773 0.797 . . . . 35.34 111.788 -175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -113.0 107.93 16.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.684 -0.689 . . . . 75.53 109.149 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -81.08 115.06 53.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.089 0.471 . . . . 73.24 110.352 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -82.31 146.98 14.2 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.332 2.021 . . . . 64.34 112.139 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.06 97.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.74 -0.467 . . . . 73.1 109.74 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.9 m -81.18 83.51 6.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.5 . . . . 53.54 111.568 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tt -102.02 87.73 3.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.781 -0.822 . . . . 63.32 108.781 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -146.75 99.35 3.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 74.11 110.411 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.47 112.63 24.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.45 -0.574 . . . . 51.44 109.45 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.17 -63.64 1.42 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.387 -0.37 . . . . 74.14 111.186 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 mmt 54.06 79.63 0.13 Allowed 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.78 0.675 . . . . 54.31 110.272 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.3 157.41 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.836 -0.62 . . . . 75.55 111.409 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 70.17 84.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.183 0.927 . . . . 71.22 112.397 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.452 -0.785 . . . . 62.35 108.968 171.093 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.36 -0.696 . . . . 51.44 111.36 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -64.79 114.06 4.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.94 0.4 . . . . 75.52 110.992 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -76.22 131.49 39.34 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.816 -0.809 . . . . 75.34 108.816 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 82.4 mtp 61.29 77.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.25 -0.648 . . . . 71.13 109.25 -171.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -116.29 123.8 48.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.074 -0.512 . . . . 73.33 111.522 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.1 p -105.6 121.37 43.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.686 -0.688 . . . . 73.13 109.49 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.417 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . 32.3 m-80 -84.21 124.93 73.51 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.267 -0.424 . . . . 71.44 111.018 -174.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -65.74 -42.15 12.71 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.592 2.195 . . . . 72.23 112.415 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.417 ' CE2' ' HB2' ' A' ' 7' ' ' ASN . 41.7 m-85 62.66 32.52 16.21 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.499 0.5 . . . . 74.45 111.453 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -117.94 -12.06 10.18 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.812 -0.355 . . . . 73.42 111.362 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -103.04 142.59 33.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.315 -0.402 . . . . 71.44 110.937 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -141.62 155.01 45.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.159 -1.052 . . . . 73.51 108.159 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -60.13 -33.82 72.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.984 0.421 . . . . 55.12 110.042 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.86 84.89 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.361 -0.836 . . . . 51.13 113.64 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 110.98 2.43 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.455 -0.572 . . . . 60.11 109.455 174.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.701 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -96.68 145.54 25.68 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.929 -0.578 . . . . 74.42 112.195 -170.762 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.448 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 3.5 m-85 -113.97 155.56 25.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.638 -0.71 . . . . 73.11 109.529 173.124 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.464 HG22 ' HB3' ' A' ' 51' ' ' CYS . 41.9 t -82.37 97.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.43 -0.581 . . . . 73.35 109.43 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 HD13 ' HB2' ' A' ' 39' ' ' TRP . 20.3 tp -105.65 128.09 53.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 73.41 110.356 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.603 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 94.9 t -108.94 137.83 39.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.31 -0.626 . . . . 65.21 109.31 173.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 1.116 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 43.0 m-80 -96.15 -173.36 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.143 -0.48 . . . . 70.05 109.875 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -76.92 -43.15 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.389 0.614 . . . . 75.41 109.842 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -114.02 17.32 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.324 -0.853 . . . . 75.54 111.497 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 1.116 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 6.7 t70 -120.22 147.08 45.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.444 -0.344 . . . . 72.21 110.636 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.51 -49.63 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 74.12 111.303 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -165.32 134.3 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.319 -0.4 . . . . 71.22 111.146 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.0 m -140.37 124.17 17.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.037 -0.529 . . . . 74.25 110.287 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.36 101.98 10.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.094 -0.706 . . . . 62.1 109.094 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -108.06 116.98 56.1 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.827 . . . . 74.32 110.687 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.701 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 15.4 Cg_exo -69.11 141.34 47.58 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.94 2.426 . . . . 74.14 112.81 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.79 2.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.761 -0.654 . . . . 74.32 111.509 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -76.26 -17.44 59.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.326 0.584 . . . . 63.22 109.779 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.73 148.1 37.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 74.2 110.495 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.16 142.89 57.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.258 -0.428 . . . . 73.54 111.08 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -94.94 119.39 66.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.856 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.9 -157.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.16 2.574 . . . . 52.44 112.205 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.498 ' HA ' ' HD1' ' A' ' 39' ' ' TRP . . . -104.32 175.33 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.662 -0.496 . . . . 64.52 109.662 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.85 60.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.184 -1.008 . . . . 71.31 110.999 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.498 ' HD1' ' HA ' ' A' ' 37' ' ' ALA . 64.5 p-90 -105.76 156.73 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.256 0.55 . . . . 75.23 111.833 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.603 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 20.0 tpt180 -142.84 114.07 7.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.299 -0.864 . . . . 71.53 109.116 174.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG21 ' CE3' ' A' ' 39' ' ' TRP . 76.9 t -92.39 114.18 28.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.92 0.391 . . . . 71.24 110.315 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.11 -35.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.062 -0.517 . . . . 74.14 110.91 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -159.33 148.82 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 72.12 110.2 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.8 -166.83 31.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.424 -0.417 . . . . 64.42 112.974 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.571 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 2.8 pt-20 -69.08 98.4 0.98 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.847 0.832 . . . . 75.21 111.919 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.67 166.36 24.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.402 -1.272 . . . . 74.23 108.294 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -35.71 128.27 0.64 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.779 0.675 . . . . 75.44 112.494 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' NH1' HD12 ' A' ' 52' ' ' LEU . 2.5 tmm_? -66.85 -41.66 87.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.774 -0.648 . . . . 64.14 110.765 -170.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.9 85.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.548 -0.296 . . . . 71.21 110.832 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.6 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.34 110.487 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB3' HG22 ' A' ' 18' ' ' VAL . 71.5 m -62.02 -49.02 77.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.216 -0.447 . . . . 53.12 110.695 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.578 HD12 ' NH1' ' A' ' 48' ' ' ARG . 94.8 mt -54.3 -50.52 67.14 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.23 -0.441 . . . . 74.21 110.826 174.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.23 -49.34 72.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.549 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.14 -51.58 68.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.535 -0.757 . . . . 62.33 111.411 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.46 -35.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.174 0.435 . . . . 74.32 112.174 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -72.21 -34.1 68.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.654 0.264 . . . . 74.35 111.25 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -80.46 -17.06 52.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.678 -0.237 . . . . 75.4 111.502 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -85.46 -23.2 27.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.871 0.367 . . . . 73.12 110.383 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -71.2 112.94 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 74.44 109.781 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 t -82.65 137.4 34.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.144 -0.48 . . . . 74.12 110.515 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.25 89.3 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.279 0.562 . . . . 35.34 110.706 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 62' ' ' LEU . 3.4 mm? -118.14 -42.56 2.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.7 -0.682 . . . . 75.53 110.094 173.741 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -77.19 128.03 81.84 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.876 -0.602 . . . . 73.24 109.409 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.32 106.23 0.39 Allowed 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.512 2.141 . . . . 64.34 112.122 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.82 146.99 35.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 73.1 110.459 178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -98.78 151.68 20.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.166 -0.47 . . . . 53.54 110.529 -174.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp -101.98 112.05 24.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.266 -0.425 . . . . 63.32 110.9 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -122.93 99.61 6.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.907 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.31 136.81 52.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.932 -0.576 . . . . 51.44 110.226 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.79 17.41 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.377 . . . . 74.14 111.382 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.6 tpp -123.48 87.51 2.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.239 0.542 . . . . 54.31 110.637 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.64 108.68 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.775 -0.648 . . . . 75.55 109.767 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -117.98 168.04 10.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.37 -0.377 . . . . 71.22 110.345 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 119.288 -0.387 . . . . 62.35 110.359 179.111 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 111.693 -0.563 . . . . 51.44 111.693 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -75.2 114.48 13.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.76 0.314 . . . . 75.52 110.664 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -71.87 132.84 44.96 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.354 -0.61 . . . . 75.34 109.354 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -124.31 145.03 49.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.244 0.545 . . . . 71.13 110.925 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m -146.62 80.95 1.56 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.955 -0.758 . . . . 73.33 108.955 174.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.411 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.4 m -76.24 100.06 4.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.918 -0.583 . . . . 73.13 110.215 -176.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -111.06 99.86 44.64 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.98 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.411 ' HD3' ' O ' ' A' ' 6' ' ' THR . 4.8 Cg_exo -78.63 -4.17 13.88 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.818 2.345 . . . . 72.23 110.946 174.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -133.24 158.92 41.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.063 -0.971 . . . . 74.45 109.36 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -100.29 139.24 36.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.892 0.377 . . . . 73.42 110.011 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -112.33 -161.28 0.75 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.54 -0.541 . . . . 71.44 109.54 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.83 151.18 21.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.739 0.304 . . . . 73.51 110.212 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -89.8 143.89 26.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.247 -0.433 . . . . 55.12 110.623 -175.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.53 177.24 54.15 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.889 -0.672 . . . . 51.13 112.331 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.53 147.39 52.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 60.11 111.123 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -128.0 145.7 50.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.657 . . . . 74.42 109.875 -177.282 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.455 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.85 158.62 25.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.47 -0.332 . . . . 73.11 110.826 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -84.22 100.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.167 -0.679 . . . . 73.35 109.167 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.488 HD13 ' HB2' ' A' ' 39' ' ' TRP . 13.6 tp -111.55 128.23 55.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.324 -0.398 . . . . 73.41 110.425 -171.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.75 130.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.292 -0.633 . . . . 65.21 109.292 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 49.2 m-80 -89.6 153.72 20.54 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.124 -0.695 . . . . 70.05 109.124 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.66 -25.81 68.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.904 0.383 . . . . 75.41 110.686 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -114.11 25.63 10.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 75.54 111.459 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.45 ' CB ' ' HB2' ' A' ' 21' ' ' ASN . 14.6 t70 -137.13 160.84 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.159 -0.312 . . . . 72.21 110.159 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -83.07 -50.52 8.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 74.12 111.176 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.562 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -166.02 143.45 5.44 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.647 -0.251 . . . . 71.22 111.165 -176.736 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -147.82 149.68 32.77 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.528 0.68 . . . . 74.25 111.644 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.69 110.61 20.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.782 -0.821 . . . . 62.1 108.782 174.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -117.82 121.59 31.53 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.549 -0.296 . . . . 74.32 111.283 -171.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.54 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 68.6 Cg_endo -75.43 134.25 16.9 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.564 2.176 . . . . 74.14 111.766 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.62 9.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.462 . . . . 74.32 112.02 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -75.34 -29.2 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.019 -0.734 . . . . 63.22 109.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.22 144.91 30.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 74.2 109.744 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.16 130.03 41.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.455 . . . . 73.54 111.437 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 29.8 mt -74.37 129.03 84.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.784 -0.644 . . . . 72.42 109.827 178.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.99 -101.5 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.856 2.371 . . . . 52.44 114.061 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.58 160.28 43.92 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.489 -0.132 . . . . 64.52 110.756 -174.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.73 29.99 66.76 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.089 -0.577 . . . . 71.31 111.969 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.488 ' HB2' HD13 ' A' ' 19' ' ' LEU . 42.1 p-90 -104.11 139.01 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.582 0.706 . . . . 75.23 112.359 -173.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -119.63 114.91 22.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.894 -1.048 . . . . 71.53 109.559 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.85 110.67 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.683 -0.488 . . . . 71.24 109.683 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.44 -39.07 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.267 0.556 . . . . 74.14 109.603 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -155.13 154.87 33.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.261 -0.881 . . . . 72.12 109.385 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.455 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -80.43 -132.78 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 O-C-N 123.641 0.588 . . . . 64.42 112.918 -176.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -92.75 97.74 10.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.688 1.232 . . . . 75.21 110.562 -177.259 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.528 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -118.4 166.32 12.81 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 113.121 -1.854 . . . . 74.23 109.205 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -43.66 129.75 5.41 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.485 0.491 . . . . 75.44 111.544 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.578 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.3 tmm_? -54.08 -47.16 72.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.024 -0.534 . . . . 64.14 110.828 -175.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.51 96.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.509 -0.314 . . . . 71.21 110.61 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.23 86.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 75.34 111.045 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -66.59 -45.56 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 53.12 111.099 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.495 HD22 ' HD2' ' A' ' 48' ' ' ARG . 4.5 mm? -64.98 -42.79 94.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.879 0.371 . . . . 74.21 110.312 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.83 -46.41 81.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.401 0.62 . . . . 63.52 110.04 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.77 -51.35 70.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.939 -1.028 . . . . 62.33 111.304 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.562 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.6 m -69.76 -37.3 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.791 0.293 . . . . 74.32 111.791 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.16 -36.75 69.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.624 0.25 . . . . 74.35 111.6 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -77.35 -15.26 59.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.591 0.234 . . . . 75.4 111.531 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -87.46 -46.55 9.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.486 -0.324 . . . . 73.12 110.877 174.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -130.9 104.71 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.145 0.498 . . . . 74.44 111.674 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -139.65 152.56 46.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.56 -0.746 . . . . 74.12 109.118 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -94.32 -13.19 26.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.267 0.556 . . . . 35.34 110.319 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.55 160.67 15.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.788 -0.642 . . . . 75.53 110.201 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' C ' ' HD3' ' A' ' 63' ' ' ARG . 2.6 tmt_? -131.7 88.34 42.88 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.825 0.345 . . . . 73.24 110.19 176.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -96.15 167.26 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.191 2.594 . . . . 64.34 111.186 170.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -86.61 72.2 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.826 0.822 . . . . 73.1 110.231 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.4 t -90.15 105.36 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.269 -0.878 . . . . 53.54 110.449 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.1 160.21 14.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.168 -0.469 . . . . 63.32 109.979 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.4 -179.43 4.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.409 -0.589 . . . . 74.11 109.409 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.13 101.14 1.38 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.63 -0.507 . . . . 51.44 109.63 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.72 106.63 18.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 74.14 111.508 -174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -141.82 151.52 42.85 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.607 -0.886 . . . . 54.31 108.607 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.96 133.45 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.112 0.482 . . . . 75.55 110.702 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -105.73 169.69 8.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.832 -0.622 . . . . 71.22 110.133 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.745 -0.645 . . . . 62.35 110.714 -179.252 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.996 -0.441 . . . . 51.44 111.996 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -93.04 111.64 23.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.954 0.406 . . . . 75.52 110.548 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -149.0 104.32 3.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.863 -0.608 . . . . 75.34 109.584 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -80.45 100.45 8.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.883 -0.598 . . . . 71.13 110.411 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -65.31 -34.55 78.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.87 -0.605 . . . . 73.33 109.847 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 m -78.73 93.09 4.87 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.461 -0.79 . . . . 73.13 109.786 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.455 ' HB3' ' HD2' ' A' ' 9' ' ' PHE . 85.7 m-20 -69.71 121.05 81.24 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.831 -0.622 . . . . 71.44 110.664 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -80.79 27.03 0.58 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.92 2.413 . . . . 72.23 112.054 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.455 ' HD2' ' HB3' ' A' ' 7' ' ' ASN . 68.5 m-85 -105.79 106.9 17.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.862 -0.608 . . . . 74.45 110.448 -177.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -115.59 120.16 38.52 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.939 -0.393 . . . . 73.42 109.939 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.86 175.18 5.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.113 -0.494 . . . . 71.44 110.52 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -127.25 23.01 6.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 73.51 111.415 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.414 HD21 ' N ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -157.36 -157.67 0.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.877 0.37 . . . . 55.12 111.385 -172.271 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.553 ' HA2' ' HB2' ' A' ' 32' ' ' PHE . . . -93.05 93.33 1.74 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.427 -0.892 . . . . 51.13 112.117 175.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . -72.71 136.18 45.51 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.956 -0.387 . . . . 60.11 109.956 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.494 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -99.52 145.77 27.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 74.42 112.219 -174.119 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.858 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -120.67 155.92 32.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.294 -0.866 . . . . 73.11 110.018 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.561 HG23 ' HB3' ' A' ' 43' ' ' HIS . 66.2 t -87.03 98.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.703 -0.481 . . . . 73.35 109.703 175.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.476 HD12 ' HB2' ' A' ' 39' ' ' TRP . 12.1 tp -106.0 129.9 54.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.79 -0.641 . . . . 73.41 110.237 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -109.09 135.05 49.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.845 0.355 . . . . 65.21 110.325 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.598 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . 28.6 t-20 -104.33 162.76 12.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.608 -0.886 . . . . 70.05 108.608 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -56.36 -46.12 80.16 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.297 0.48 . . . . 75.41 112.297 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -114.55 25.52 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.805 0.298 . . . . 75.54 111.805 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.598 ' CB ' ' HB3' ' A' ' 21' ' ' ASN . 37.7 t70 -111.26 155.54 22.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.865 0.364 . . . . 72.21 111.615 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.645 ' NE2' ' H ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -84.04 -50.49 7.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.986 -0.552 . . . . 74.12 112.009 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.645 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 14.9 p80 -165.85 128.11 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.858 0.361 . . . . 71.22 110.911 175.378 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -123.37 104.77 9.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.152 -0.476 . . . . 74.25 110.684 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.07 97.91 7.75 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.903 -0.777 . . . . 62.1 108.903 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.439 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 76.3 t-105 -107.56 126.54 29.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.815 -0.63 . . . . 74.32 110.787 -169.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.47 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.4 Cg_exo -68.26 131.93 24.64 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.752 2.301 . . . . 74.14 112.542 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.89 -4.26 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 74.32 111.098 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . 73.8 t80 -75.67 -20.93 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.755 -0.657 . . . . 63.22 109.402 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.28 162.8 12.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 74.2 110.169 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.45 121.12 17.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.242 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -83.73 120.75 75.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.212 -0.449 . . . . 72.42 109.946 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.49 -153.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.376 2.717 . . . . 52.44 112.178 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.62 155.8 24.83 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 110.339 -0.245 . . . . 64.52 110.339 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.33 29.99 8.04 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.729 -0.748 . . . . 71.31 111.597 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.476 ' HB2' HD12 ' A' ' 19' ' ' LEU . 67.9 p-90 -121.72 160.77 23.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.09 0.472 . . . . 75.23 111.496 -173.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 40' ' ' ARG . 4.0 mmt180 -146.02 124.76 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 71.53 110.145 171.249 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.461 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 70.5 t -88.63 124.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 71.24 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.34 -36.37 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.033 0.444 . . . . 74.14 110.879 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.844 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 44.8 t-80 -145.44 144.52 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.512 . . . . 72.12 110.245 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.76 -157.95 14.45 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 121.061 -0.59 . . . . 64.42 113.345 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.858 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.61 99.41 9.54 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 122.569 1.176 . . . . 75.21 111.266 -176.215 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.844 ' HB3' ' HE1' ' A' ' 43' ' ' HIS . . . -144.35 166.09 26.07 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.457 -1.701 . . . . 74.23 108.843 173.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -31.41 128.19 0.17 Allowed 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.445 1.091 . . . . 75.44 113.484 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -55.98 -48.04 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.977 -1.011 . . . . 64.14 110.692 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 71.21 111.074 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.76 92.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 75.34 111.092 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.18 -51.18 68.86 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.452 -0.34 . . . . 53.12 110.972 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 52' ' ' LEU . 4.1 mm? -57.57 -46.98 83.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 74.21 111.239 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.63 -47.92 83.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.527 -0.306 . . . . 63.52 110.914 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.14 -51.63 68.92 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.279 -0.419 . . . . 62.33 111.49 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.61 -38.18 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.628 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 53.3 mt-10 -72.81 -29.94 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.926 -0.31 . . . . 74.35 111.64 -179.152 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -73.43 -39.54 64.93 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.189 -0.204 . . . . 75.4 111.034 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -35.76 72.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.038 0.447 . . . . 73.12 109.821 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.3 t90 62.98 83.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.743 -1.117 . . . . 74.44 110.461 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.5 m -73.05 89.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.216 -0.902 . . . . 74.12 110.509 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -112.42 114.91 27.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 35.34 111.227 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.18 8.47 30.06 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.898 -0.779 . . . . 75.53 108.898 171.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.59 85.26 0.19 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 114.598 -1.183 . . . . 73.24 110.668 -175.443 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.36 130.32 22.22 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.835 2.357 . . . . 64.34 112.192 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -161.35 95.75 1.04 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.458 -0.571 . . . . 73.1 109.458 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.9 m -63.06 95.37 0.08 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.446 0.641 . . . . 53.54 110.389 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -173.35 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.693 -1.225 . . . . 63.32 107.693 -173.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.607 ' NE ' ' HA ' ' A' ' 68' ' ' ARG . 1.2 mmp_? -88.41 12.77 13.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.881 -1.054 . . . . 74.11 111.114 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.49 116.39 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 51.44 110.173 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.41 93.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 74.14 110.396 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -86.45 94.71 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.455 0.645 . . . . 54.31 110.565 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.1 m -109.76 154.16 11.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.395 -0.82 . . . . 75.55 109.627 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -80.59 -53.4 6.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.936 0.398 . . . . 71.22 110.665 -175.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.733 -0.651 . . . . 62.35 109.929 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.53 -0.628 . . . . 51.44 111.53 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -70.93 90.65 0.82 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.334 0.588 . . . . 75.52 111.0 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -78.82 138.2 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.809 -0.632 . . . . 75.34 109.757 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.3 ptm -142.32 164.54 29.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.174 0.511 . . . . 71.13 111.374 -175.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -132.91 138.2 46.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.246 -0.888 . . . . 73.33 109.046 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -96.33 133.99 40.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.646 0.26 . . . . 73.13 110.376 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -82.19 136.17 46.91 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.573 -0.529 . . . . 71.44 109.573 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -79.78 23.44 0.67 Allowed 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.873 2.382 . . . . 72.23 113.387 -173.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -82.44 138.79 34.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.938 0.399 . . . . 74.45 110.274 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -91.98 9.46 33.05 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.01 -0.541 . . . . 73.42 110.099 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -73.97 78.42 1.67 Allowed 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.243 -0.651 . . . . 71.44 109.243 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -86.6 95.32 9.72 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.671 -0.695 . . . . 73.51 110.76 -174.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -160.04 101.64 1.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.76 -0.654 . . . . 55.12 110.544 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.25 82.91 0.05 OUTLIER Glycine 0 CA--C 1.505 -0.548 0 C-N-CA 120.849 -0.691 . . . . 51.13 112.081 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.04 119.61 39.44 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.418 0.627 . . . . 60.11 111.087 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.631 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -132.86 145.64 51.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.943 -1.026 . . . . 74.42 109.298 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.486 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.0 m-85 -114.98 165.4 12.92 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.018 0.437 . . . . 73.11 111.013 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.69 97.7 7.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 N-CA-C 109.005 -0.739 . . . . 73.35 109.005 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.509 HD11 ' HB2' ' A' ' 39' ' ' TRP . 21.0 tp -107.67 129.11 55.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.606 -0.724 . . . . 73.41 110.724 -173.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -114.76 134.27 58.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 65.21 110.102 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.708 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.7 t-20 -111.03 156.09 21.79 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 70.05 108.462 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.49 -38.92 72.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 75.41 111.355 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -109.97 21.07 17.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 75.54 111.422 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.708 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 18.2 t70 -134.09 132.65 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.497 -0.556 . . . . 72.21 109.497 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.64 -53.51 22.03 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 74.12 111.599 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -166.76 128.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.819 -0.173 . . . . 71.22 110.943 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -128.86 135.25 48.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 74.25 111.726 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 HD12 ' HB3' ' A' ' 51' ' ' CYS . 2.8 mm? -84.03 101.5 11.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.725 -0.842 . . . . 62.1 108.725 170.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -107.69 116.86 56.84 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.705 -0.68 . . . . 74.32 110.681 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.614 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.7 Cg_endo -73.39 155.31 50.95 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.581 2.187 . . . . 74.14 112.31 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.38 -0.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.952 0.406 . . . . 74.32 111.562 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -101.03 24.95 8.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.779 0.799 . . . . 63.22 109.313 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.98 127.99 29.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.5 -0.773 . . . . 74.2 110.113 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -62.57 122.24 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.344 0.592 . . . . 73.54 110.941 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mt -77.01 128.71 80.58 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 72.42 110.722 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.47 -154.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.322 2.682 . . . . 52.44 112.289 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.24 166.5 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.494 0.188 . . . . 64.52 110.563 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 29.49 56.68 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.639 -0.791 . . . . 71.31 111.907 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.509 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.0 p-90 -109.66 151.81 26.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.846 0.355 . . . . 75.23 111.686 -174.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . 10.2 mmt180 -144.66 128.83 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.755 -0.657 . . . . 71.53 110.208 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.13 115.55 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.017 -0.538 . . . . 71.24 110.644 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.44 -25.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.076 0.465 . . . . 74.14 110.296 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.419 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 31.4 t-80 -157.71 143.46 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.135 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.75 -153.33 10.93 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.848 -0.691 . . . . 64.42 112.167 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.27 98.17 9.27 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.642 1.211 . . . . 75.21 111.259 -174.14 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.631 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.59 166.02 13.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.143 -1.844 . . . . 74.23 108.245 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -44.94 131.43 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.634 0.584 . . . . 75.44 111.179 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.412 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.2 tpp180 -51.47 -43.61 62.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 64.14 111.006 -176.752 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.22 89.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.258 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.05 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 75.34 110.861 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.469 ' HB3' HD12 ' A' ' 28' ' ' LEU . 80.5 m -64.73 -44.98 88.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.969 -0.56 . . . . 53.12 110.796 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 95.4 mt -61.98 -44.45 96.72 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.828 0.347 . . . . 74.21 110.43 175.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.01 -46.72 82.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 63.52 110.11 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -62.62 -51.89 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 62.33 111.651 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.7 m -65.35 -40.96 90.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.655 0.264 . . . . 74.32 111.617 -174.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -72.77 -39.76 66.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.45 -0.341 . . . . 74.35 111.769 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -74.86 -18.89 60.36 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.747 0.308 . . . . 75.4 111.467 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.11 -40.99 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.675 -0.491 . . . . 73.12 109.675 171.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 61.06 20.75 11.19 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.445 -0.798 . . . . 74.44 110.185 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.5 m 64.27 80.23 0.24 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.106 -0.952 . . . . 74.12 110.826 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -111.36 165.24 12.12 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.358 -0.837 . . . . 35.34 109.274 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.9 tp -81.29 87.17 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.662 0.744 . . . . 75.53 111.264 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' CB ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -94.33 170.2 8.6 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.119 -0.946 . . . . 73.24 109.05 172.094 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 63' ' ' ARG . 2.8 Cg_endo -42.07 134.93 4.1 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.204 2.603 . . . . 64.34 112.277 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 131.1 39.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.148 -178.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -80.63 88.09 5.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.209 -0.45 . . . . 53.54 111.469 -173.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 67' ' ' LEU . 1.7 tm? -87.59 83.31 7.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.409 -0.96 . . . . 63.32 108.409 174.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -143.16 100.02 3.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.183 -0.917 . . . . 74.11 108.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -130.41 134.84 47.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.862 -0.608 . . . . 51.44 110.684 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.53 167.91 27.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.031 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 ttt -81.48 93.68 6.7 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.845 -0.428 . . . . 54.31 109.845 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.37 90.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.945 -0.57 . . . . 75.55 109.807 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -151.85 -163.33 1.72 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.998 -0.546 . . . . 71.22 110.605 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.121 -0.942 . . . . 62.35 110.891 -176.093 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 112.134 -0.386 . . . . 51.44 112.134 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -103.48 14.95 30.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.551 0.215 . . . . 75.52 110.992 -178.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.9 m80 59.45 33.28 22.23 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.728 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.8 ptm -105.14 139.94 39.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.933 -0.576 . . . . 71.13 110.925 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m -93.25 155.13 17.62 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.867 -0.606 . . . . 73.33 109.61 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.619 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 29.7 m -104.08 129.88 51.76 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.987 -0.375 . . . . 73.13 109.987 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.403 ' HB3' ' OD2' ' A' ' 10' ' ' ASP . 3.9 m-20 -102.32 99.26 12.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.607 0.241 . . . . 71.44 110.658 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.619 ' HD3' ' O ' ' A' ' 6' ' ' THR . 58.8 Cg_endo -99.59 -13.56 0.24 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 122.985 2.456 . . . . 72.23 112.135 173.373 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -130.74 104.5 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.891 -0.595 . . . . 74.45 110.594 -175.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 7' ' ' ASN . 3.9 m-20 -139.21 178.73 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.45 -0.574 . . . . 73.42 109.45 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -92.86 80.52 4.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.316 0.579 . . . . 71.44 109.876 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -111.83 6.0 19.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.215 -0.902 . . . . 73.51 111.249 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -81.84 85.04 6.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 55.12 111.029 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.58 -136.71 24.96 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.885 -0.598 . . . . 51.13 113.001 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.45 152.56 47.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.05 0.452 . . . . 60.11 110.998 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.564 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -139.75 147.16 40.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 74.42 110.029 -176.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.59 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -118.05 163.08 17.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.301 -0.409 . . . . 73.11 110.381 177.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.2 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.208 -0.664 . . . . 73.35 109.208 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.489 HD12 ' HB2' ' A' ' 39' ' ' TRP . 12.7 tp -105.94 128.23 53.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.682 -0.69 . . . . 73.41 109.845 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.417 HG22 ' HA ' ' A' ' 26' ' ' HIS . 88.3 t -126.9 133.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.995 0.426 . . . . 65.21 111.313 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -104.46 150.39 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.519 -0.919 . . . . 70.05 108.519 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -68.19 -14.54 63.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.853 0.359 . . . . 75.41 111.191 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.62 17.35 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.104 -0.498 . . . . 75.54 110.182 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.37 -166.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.837 -0.801 . . . . 72.21 108.837 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.556 HE21 ' HG ' ' A' ' 62' ' ' LEU . 41.8 mt-30 -125.46 -53.47 1.59 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.214 -0.304 . . . . 74.12 110.419 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.417 ' HA ' HG22 ' A' ' 20' ' ' VAL . 25.4 p80 -166.14 144.87 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.327 . . . . 71.22 110.476 173.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 m -148.79 127.16 12.24 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.401 -0.363 . . . . 74.25 110.321 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.72 109.09 17.78 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.057 -0.72 . . . . 62.1 109.057 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 77.3 t-105 -107.62 116.31 57.82 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.912 -171.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -69.34 139.34 41.45 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.043 2.495 . . . . 74.14 111.827 177.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.15 -1.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.728 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -68.38 -33.09 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.217 0.532 . . . . 63.22 110.312 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.15 139.89 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 74.2 109.4 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.63 143.33 48.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.791 -0.364 . . . . 73.54 110.04 -176.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.413 HG23 HD22 ' A' ' 19' ' ' LEU . 56.6 mt -68.82 133.66 90.29 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.917 -0.583 . . . . 72.42 111.418 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.78 -163.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.023 2.482 . . . . 52.44 112.276 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.17 170.23 9.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.331 -0.395 . . . . 64.52 109.981 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.82 69.91 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.79 -0.719 . . . . 71.31 112.304 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.489 ' HB2' HD12 ' A' ' 19' ' ' LEU . 60.0 p-90 -98.94 154.3 18.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.079 0.466 . . . . 75.23 112.024 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 3.0 tpt180 -149.42 126.14 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.923 -0.769 . . . . 71.53 108.923 170.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.73 116.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.693 0.282 . . . . 71.24 110.741 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -92.46 -29.53 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.179 0.514 . . . . 74.14 110.707 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -155.98 144.86 20.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.403 -0.591 . . . . 72.12 109.403 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.62 -148.74 9.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.595 -0.812 . . . . 64.42 112.446 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.59 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -83.85 98.21 9.62 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 122.403 1.097 . . . . 75.21 111.297 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.564 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -129.89 160.25 34.12 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.499 -1.682 . . . . 74.23 108.365 172.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 m -39.29 128.4 1.79 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.806 0.691 . . . . 75.44 112.036 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.744 HH11 HD21 ' A' ' 52' ' ' LEU . 6.3 tmm_? -51.8 -48.33 63.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.701 -0.681 . . . . 64.14 110.993 -174.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.14 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.495 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.94 65.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 75.34 111.127 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.12 -46.62 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 53.12 110.386 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.744 HD21 HH11 ' A' ' 48' ' ' ARG . 9.4 mp -57.56 -46.94 83.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 74.21 110.298 173.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.59 -49.02 73.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.792 -0.64 . . . . 63.52 110.588 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.93 -51.52 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 62.33 111.606 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.07 -41.14 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.852 -0.339 . . . . 74.32 111.691 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' O ' HG22 ' A' ' 60' ' ' THR . 6.9 mm-40 -70.47 -38.89 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.589 -0.278 . . . . 74.35 111.695 -175.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -72.99 -18.62 61.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.672 0.272 . . . . 75.4 111.385 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.482 ' HB3' ' HE3' ' A' ' 59' ' ' TRP . 15.8 m-80 -94.12 -45.44 7.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.648 -0.251 . . . . 73.12 111.401 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.482 ' HE3' ' HB3' ' A' ' 58' ' ' ASN . 46.2 p90 -151.49 120.25 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.545 0.688 . . . . 74.44 111.177 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.421 HG22 ' O ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -106.19 -49.76 3.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.583 -0.735 . . . . 74.12 110.92 177.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -119.17 150.85 39.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.118 -0.492 . . . . 35.34 110.406 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.556 ' HG ' HE21 ' A' ' 25' ' ' GLN . 67.4 mt -92.65 34.81 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 75.53 111.846 -175.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.74 120.64 38.9 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 108.459 -0.941 . . . . 73.24 108.459 172.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -33.58 114.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.711 0 C-N-CA 124.301 3.334 . . . . 64.34 114.193 -173.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -105.75 -34.18 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.042 -0.981 . . . . 73.1 110.132 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.2 t -99.84 105.07 16.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.131 -0.692 . . . . 53.54 109.131 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.2 tp -81.97 82.23 7.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.23 0.538 . . . . 63.32 110.534 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -128.96 114.22 16.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.268 -0.878 . . . . 74.11 109.652 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -80.54 83.63 6.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.305 0.574 . . . . 51.44 110.021 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.19 92.45 1.71 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.364 -0.835 . . . . 74.14 110.04 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.2 tpt -87.94 104.7 16.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.958 0.409 . . . . 54.31 110.046 179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.65 97.25 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.888 -0.596 . . . . 75.55 110.044 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -93.79 -174.79 3.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.812 -0.631 . . . . 71.22 110.173 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.608 -0.711 . . . . 62.35 109.974 179.473 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.702 -0.559 . . . . 51.44 111.702 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -64.14 105.22 0.84 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.808 0.337 . . . . 75.52 110.297 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.3 102.39 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.597 -0.52 . . . . 75.34 109.597 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -104.96 161.31 14.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.999 -0.546 . . . . 71.13 111.123 -174.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -149.23 87.74 1.54 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.688 -0.687 . . . . 73.33 109.797 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -61.65 -48.46 80.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.22 0.533 . . . . 73.13 110.494 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.551 ' HB2' ' HD2' ' A' ' 9' ' ' PHE . 8.8 p30 -120.43 135.69 24.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.672 -0.492 . . . . 71.44 109.672 174.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -89.51 10.09 3.27 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.684 2.256 . . . . 72.23 112.428 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.551 ' HD2' ' HB2' ' A' ' 7' ' ' ASN . 73.5 m-85 -84.36 -31.14 24.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.105 -0.498 . . . . 74.45 110.91 -175.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.414 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 20.5 t70 73.53 -52.74 0.7 Allowed 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.637 -0.711 . . . . 73.42 112.165 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.92 76.58 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.763 0.792 . . . . 71.44 110.647 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -102.22 97.21 7.53 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.486 -1.301 . . . . 73.51 107.486 172.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -124.27 170.0 11.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.349 -0.387 . . . . 55.12 110.797 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.38 -147.39 21.46 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.7 -0.56 . . . . 51.13 111.7 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.21 164.8 11.79 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.859 0.362 . . . . 60.11 110.304 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.662 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -146.3 145.74 30.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.868 -0.605 . . . . 74.42 109.374 -176.653 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.441 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.1 m-85 -121.37 157.47 30.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.834 0.349 . . . . 73.11 110.504 -178.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t -90.72 97.48 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.016 -0.735 . . . . 73.35 109.016 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.9 tp -100.22 137.77 38.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.314 -0.857 . . . . 73.41 110.17 -172.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -131.47 134.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.931 0.396 . . . . 65.21 110.52 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -117.99 152.59 35.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.736 -0.839 . . . . 70.05 108.736 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.85 -32.31 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 75.41 110.63 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.07 12.48 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.771 -0.649 . . . . 75.54 110.374 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -135.81 -166.71 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.818 -0.808 . . . . 72.21 108.818 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' A' ' 26' ' ' HIS . 4.0 pt20 -129.39 -52.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.535 0.207 . . . . 74.12 110.659 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 49.7 m-70 -162.92 127.98 3.14 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.436 0.695 . . . . 71.22 109.231 -177.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 m -135.5 131.66 36.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.86 0.362 . . . . 74.25 110.914 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -84.73 102.34 12.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.877 -0.786 . . . . 62.1 108.877 171.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' HG12 ' A' ' 35' ' ' ILE . 76.3 t-105 -107.65 115.77 58.63 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.229 -172.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.453 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 67.7 Cg_endo -77.19 143.02 22.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.596 2.197 . . . . 74.14 112.059 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.0 m -75.2 1.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.031 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -63.31 -27.66 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.622 -0.881 . . . . 63.22 108.622 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.64 152.23 26.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.219 -0.9 . . . . 74.2 109.594 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -82.06 143.6 31.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.021 0.439 . . . . 73.54 110.623 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 29' ' ' TRP . 21.5 mt -84.02 122.37 75.95 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 72.42 109.877 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.96 -98.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 122.914 2.409 . . . . 52.44 113.795 -174.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.53 37.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.314 -0.241 . . . . 64.52 110.826 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.52 72.65 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.987 -0.625 . . . . 71.31 112.389 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.501 ' HB2' HD11 ' A' ' 19' ' ' LEU . 55.5 p-90 -104.8 161.39 14.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.293 0.568 . . . . 75.23 111.84 -173.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.44 121.47 15.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.337 -0.847 . . . . 71.53 109.48 174.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.5 t -92.7 114.0 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.767 0.318 . . . . 71.24 110.649 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -79.53 -42.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 74.14 109.813 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.71 139.33 29.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.37 -0.832 . . . . 72.12 108.993 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.441 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -76.57 -134.63 0.58 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.715 -0.755 . . . . 64.42 111.95 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.73 98.23 11.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.584 1.183 . . . . 75.21 110.742 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.662 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -120.07 165.91 14.09 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.219 -1.81 . . . . 74.23 108.251 173.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 m -40.34 128.48 2.36 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.504 0.503 . . . . 75.44 112.059 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 8.7 tpt180 -52.37 -44.65 65.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.892 -0.594 . . . . 64.14 110.573 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.03 89.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.513 -0.767 . . . . 71.21 111.325 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.43 80.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 75.34 111.275 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 71.2 m -64.52 -48.12 76.31 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.947 0.403 . . . . 53.12 110.404 177.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.544 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 97.0 mt -59.9 -43.96 94.54 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.057 -0.52 . . . . 74.21 110.053 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.41 -45.56 76.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.252 0.549 . . . . 63.52 110.255 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.03 -51.53 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 62.33 111.046 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.2 m -69.46 -40.1 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.033 0.382 . . . . 74.32 112.033 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.544 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 5.6 mm-40 -72.63 -40.16 66.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 74.35 111.477 -176.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -70.24 -14.38 62.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.91 0.337 . . . . 75.4 111.91 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -20.05 64.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.67 -0.241 . . . . 73.12 110.701 172.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.0 m95 56.08 45.32 23.78 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.149 0.58 . . . . 74.44 111.43 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.7 p -85.27 112.88 21.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.929 -0.578 . . . . 74.12 110.993 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -87.1 171.77 10.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.499 -0.556 . . . . 35.34 109.499 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 69.42 90.18 0.1 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.417 0.687 . . . . 75.53 110.314 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 83.2 mtt180 -135.3 167.47 22.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.378 -0.828 . . . . 73.24 110.59 -173.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 63' ' ' ARG . 22.2 Cg_endo -62.94 108.49 0.76 Allowed 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 121.981 1.787 . . . . 64.34 110.257 169.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -56.09 106.52 0.28 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.939 -173.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.8 m -82.38 86.99 6.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 53.54 110.482 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.1 tp -150.22 135.56 18.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.045 -0.525 . . . . 63.32 110.24 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 -120.22 -39.01 2.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 74.11 110.12 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -161.45 138.84 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.056 -0.72 . . . . 51.44 109.056 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.62 119.03 25.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.074 0.464 . . . . 74.14 111.384 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.6 tpp -122.7 107.77 12.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.0 -0.546 . . . . 54.31 109.631 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.84 -61.61 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.116 0.484 . . . . 75.55 110.08 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.32 142.9 39.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.878 -0.601 . . . . 71.22 110.487 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.651 -0.704 . . . . 62.35 109.952 -178.346 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.646 -0.581 . . . . 51.44 111.646 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -123.63 128.25 49.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 75.52 110.759 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -103.89 126.02 50.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 75.34 110.455 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.5 ttm -93.37 99.27 11.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.043 0.449 . . . . 71.13 110.061 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -130.06 102.09 6.11 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.912 -0.773 . . . . 73.33 108.912 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -130.33 168.88 16.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.122 -0.49 . . . . 73.13 110.169 -176.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.41 ' HB3' ' CD2' ' A' ' 9' ' ' PHE . 4.0 m-20 -74.34 131.81 79.92 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.134 -0.485 . . . . 71.44 109.749 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.95 31.76 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.89 2.393 . . . . 72.23 112.83 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.41 ' CD2' ' HB3' ' A' ' 7' ' ' ASN . 50.5 m-85 -104.24 102.25 11.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.327 -0.397 . . . . 74.45 110.222 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -79.41 152.56 30.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.352 -0.61 . . . . 73.42 109.352 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.43 130.33 45.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 71.44 111.142 -173.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -92.37 163.17 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.106 -0.497 . . . . 73.51 110.949 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -131.81 17.75 4.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.344 0.592 . . . . 55.12 110.666 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.77 -155.75 8.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.213 -0.994 . . . . 51.13 112.276 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.5 169.75 17.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.82 -0.437 . . . . 60.11 109.82 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.556 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.71 147.13 25.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.526 -0.306 . . . . 74.42 110.188 -176.645 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -118.48 154.18 32.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.073 -0.512 . . . . 73.11 110.217 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 70.4 t -82.13 102.89 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.392 -0.966 . . . . 73.35 108.392 169.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.498 ' HG ' ' HE3' ' A' ' 39' ' ' TRP . 20.8 tp -120.98 127.88 52.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.642 -0.708 . . . . 73.41 109.733 -171.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -122.29 130.41 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.978 0.418 . . . . 65.21 110.292 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -93.6 165.43 12.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.939 -0.763 . . . . 70.05 108.939 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.04 -45.6 88.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 75.41 111.325 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -87.05 11.31 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 75.54 110.908 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -117.16 159.79 22.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.997 -0.371 . . . . 72.21 109.997 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.601 ' OE1' ' HA ' ' A' ' 61' ' ' ASP . 62.1 mt-30 -108.67 -35.81 6.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.149 0.426 . . . . 74.12 112.149 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.83 127.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.509 0.195 . . . . 71.22 110.725 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.3 m -150.74 144.35 25.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.251 0.548 . . . . 74.25 111.659 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.524 HD12 ' HB3' ' A' ' 51' ' ' CYS . 4.3 mm? -106.76 114.31 28.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 62.1 109.136 173.348 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.438 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 74.4 t-105 -108.41 120.72 45.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.539 -174.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 17.3 Cg_exo -66.97 135.28 37.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.627 2.218 . . . . 74.14 112.406 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.39 -9.65 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.76 0.79 . . . . 74.32 109.933 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -72.48 -17.42 61.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.219 -0.9 . . . . 63.22 109.487 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.79 145.18 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 74.2 109.312 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.24 123.45 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.651 0.262 . . . . 73.54 110.655 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.8 mt -75.4 115.89 49.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.577 . . . . 72.42 110.725 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.06 175.44 10.9 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 123.0 2.467 . . . . 52.44 112.42 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.62 158.26 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.342 -0.39 . . . . 64.52 110.351 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.34 -23.29 36.44 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.425 -0.67 . . . . 71.31 111.425 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.498 ' HE3' ' HG ' ' A' ' 19' ' ' LEU . 32.5 m95 -86.32 147.65 25.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.397 -0.401 . . . . 75.23 110.001 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -110.39 119.38 39.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.258 -0.428 . . . . 71.53 110.175 -176.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.66 120.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.24 110.457 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -99.75 -33.57 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.142 0.496 . . . . 74.14 110.6 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.563 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 58.4 t60 -151.36 143.5 23.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.932 -0.576 . . . . 72.12 109.449 -176.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.99 -158.89 23.65 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.626 -0.797 . . . . 64.42 112.95 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.514 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.4 pt-20 -82.29 98.27 8.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.631 0.729 . . . . 75.21 111.187 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.15 165.9 25.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.826 -1.079 . . . . 74.23 108.237 174.686 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -33.82 128.2 0.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.999 0.812 . . . . 75.44 112.246 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 10.2 ttm180 -62.01 -42.41 99.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.467 -0.333 . . . . 64.14 110.843 -173.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.74 80.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.457 -0.338 . . . . 71.21 110.508 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.99 88.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 75.34 110.54 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.524 ' HB3' HD12 ' A' ' 28' ' ' LEU . 99.3 m -64.23 -50.02 69.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 53.12 110.811 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.535 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 8.7 mp -54.49 -52.05 63.13 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.276 -0.42 . . . . 74.21 111.112 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.63 -44.35 77.05 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.985 -0.286 . . . . 63.52 111.042 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.32 -51.73 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.397 -0.365 . . . . 62.33 111.255 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.42 HG23 ' OE1' ' A' ' 56' ' ' GLU . 20.7 m -69.15 -39.62 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 74.32 111.772 -175.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.535 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 9.3 mm-40 -72.77 -31.38 64.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.658 -0.246 . . . . 74.35 111.12 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -71.76 -33.96 69.09 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.696 0.284 . . . . 75.4 110.33 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -38.25 82.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.953 -0.758 . . . . 73.12 108.953 171.254 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.5 t90 59.58 79.14 0.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.934 -1.03 . . . . 74.44 111.013 174.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 p -106.69 -4.14 19.82 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 74.12 110.397 176.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.601 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 11.5 t70 -87.32 167.1 14.36 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.837 -0.62 . . . . 35.34 110.893 -174.405 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.86 -35.29 74.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.656 -0.702 . . . . 75.53 111.037 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 -161.46 122.67 1.62 Allowed Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 120.943 -0.303 . . . . 73.24 110.808 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -76.2 129.12 11.03 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.571 2.18 . . . . 64.34 112.429 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -100.55 -40.4 7.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.105 -0.498 . . . . 73.1 110.015 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 m -73.46 88.36 1.61 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 53.54 111.017 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -97.87 95.58 7.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.571 -0.9 . . . . 63.32 108.571 175.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -113.49 113.87 25.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.054 -0.521 . . . . 74.11 110.308 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -133.94 171.29 14.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.479 -0.328 . . . . 51.44 110.245 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.29 143.18 19.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.044 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -81.71 105.91 13.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.446 -0.575 . . . . 54.31 109.446 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.1 t -111.94 105.07 18.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.872 -0.604 . . . . 75.55 109.851 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -142.22 117.39 10.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.836 -0.62 . . . . 71.22 110.578 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.482 -0.771 . . . . 62.35 109.933 178.236 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 111.855 -0.498 . . . . 51.44 111.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -77.74 101.74 6.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.327 0.584 . . . . 75.52 110.604 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -131.23 25.23 4.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.515 0.674 . . . . 75.34 109.363 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 93.6 mmm -87.61 96.64 10.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.357 -0.838 . . . . 71.13 110.068 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -75.94 71.98 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.943 -0.572 . . . . 73.33 110.941 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 p -82.28 -40.08 22.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.961 -0.563 . . . . 73.13 110.112 175.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -87.99 125.72 63.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.689 -0.687 . . . . 71.44 109.416 173.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.26 13.84 1.01 Allowed 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.838 2.359 . . . . 72.23 113.398 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 55.28 80.66 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.292 0.568 . . . . 74.45 111.648 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -104.1 127.79 51.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.398 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -123.74 -170.77 2.19 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.626 -0.879 . . . . 71.44 108.626 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -123.29 -39.24 2.48 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.922 -0.311 . . . . 73.51 111.185 -175.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -93.15 115.7 28.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.99 0.424 . . . . 55.12 110.936 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.36 82.26 0.92 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.636 -0.793 . . . . 51.13 111.988 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.74 168.73 19.28 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.953 -0.624 . . . . 60.11 109.906 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.66 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -137.81 145.72 42.66 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.171 -0.468 . . . . 74.42 110.882 -171.7 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.556 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 3.7 m-30 -120.56 156.03 32.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.555 . . . . 73.11 110.065 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t -88.77 97.36 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.182 -0.673 . . . . 73.35 109.182 174.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.503 HD12 ' HB2' ' A' ' 39' ' ' TRP . 16.0 tp -104.47 134.59 47.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 73.41 110.782 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -130.14 139.14 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.121 -0.491 . . . . 65.21 110.025 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.49 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 27.7 t-20 -124.32 153.5 41.67 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.459 -0.571 . . . . 70.05 109.459 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.47 -38.37 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.028 0.381 . . . . 75.41 112.028 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.31 24.35 12.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.019 0.438 . . . . 75.54 111.231 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 28.0 t70 -126.12 151.26 47.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.182 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.58 -53.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.969 -0.292 . . . . 74.12 110.294 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' HE1' ' HB2' ' A' ' 58' ' ' ASN . 2.5 m170 -166.39 128.24 1.82 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.735 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -117.53 114.31 23.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.167 0.508 . . . . 74.25 111.236 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -87.51 95.24 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.582 -1.266 . . . . 62.1 107.582 170.423 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -107.44 121.5 44.2 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 74.32 111.686 -164.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.75 139.01 39.22 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.972 2.448 . . . . 74.14 111.922 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.76 -10.53 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 74.32 111.283 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.57 -11.62 59.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.392 0.615 . . . . 63.22 109.838 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.98 139.28 41.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.723 -0.671 . . . . 74.2 109.741 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.4 131.02 44.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 73.54 110.786 -176.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.53 133.71 62.87 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 72.42 110.492 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.91 -164.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.475 0.42 0 C-N-CA 123.064 2.509 . . . . 52.44 112.962 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.13 161.19 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 64.52 110.349 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.01 29.68 70.53 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.625 -0.797 . . . . 71.31 111.889 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.503 ' HB2' HD12 ' A' ' 19' ' ' LEU . 53.1 p-90 -85.79 155.26 21.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.192 0.52 . . . . 75.23 111.856 -175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -135.06 117.44 15.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 71.53 109.587 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.416 HG21 ' CE3' ' A' ' 39' ' ' TRP . 89.8 t -96.08 114.31 32.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.398 -0.364 . . . . 71.24 110.271 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.56 -46.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.323 0.583 . . . . 74.14 109.648 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -154.56 155.85 35.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 72.12 109.665 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.18 -134.16 0.99 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.992 -0.623 . . . . 64.42 112.393 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.556 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -84.07 97.74 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.381 1.086 . . . . 75.21 110.44 -177.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.608 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -113.79 166.15 11.85 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.51 -1.677 . . . . 74.23 108.427 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.2 m -44.26 127.76 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.818 0.342 . . . . 75.44 111.539 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.66 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.7 tmt_? -58.56 -40.13 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.693 -174.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.7 88.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.416 . . . . 71.21 110.747 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.58 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.839 -0.619 . . . . 75.34 111.417 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.513 ' HB3' HD21 ' A' ' 28' ' ' LEU . 81.4 m -62.72 -50.48 70.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 53.12 110.962 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.477 ' HA ' HG23 ' A' ' 55' ' ' VAL . 4.3 mm? -63.92 -37.5 87.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 74.21 110.785 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.483 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 24.9 t70 -60.53 -52.61 64.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.838 -0.43 . . . . 63.52 109.838 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -54.73 -50.68 67.78 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.102 -0.499 . . . . 62.33 111.734 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.477 HG23 ' HA ' ' A' ' 52' ' ' LEU . 34.7 m -67.74 -40.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.687 -0.405 . . . . 74.32 111.991 -174.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.87 -32.97 65.78 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 111.82 0.304 . . . . 74.35 111.82 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 30.6 mtpp -69.01 -40.44 78.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.897 0.38 . . . . 75.4 110.727 178.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.449 ' N ' HD21 ' A' ' 58' ' ' ASN . 0.9 OUTLIER -83.85 0.03 49.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.25 -0.432 . . . . 73.12 110.465 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -80.14 118.28 21.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 74.44 109.234 176.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -98.5 137.45 37.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.213 -0.449 . . . . 74.12 110.063 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -84.04 11.65 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.365 -0.38 . . . . 35.34 110.92 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 tp -77.74 50.07 0.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.793 0.806 . . . . 75.53 110.126 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -117.41 89.98 33.36 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 108.154 -1.054 . . . . 73.24 108.154 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -88.78 146.89 5.79 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 122.566 2.177 . . . . 64.34 112.545 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.44 91.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 73.1 109.286 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 m -82.89 129.08 34.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.596 -0.729 . . . . 53.54 111.202 -173.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.5 mt -82.28 50.62 1.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.46 0.648 . . . . 63.32 110.15 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.448 HH11 ' HD3' ' A' ' 68' ' ' ARG . 1.2 tpm_? -84.21 77.15 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.398 -0.819 . . . . 74.11 109.762 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 64.49 109.88 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.442 -0.799 . . . . 51.44 110.506 -175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.97 73.81 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.008 -0.542 . . . . 74.14 111.933 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -69.5 -32.1 70.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.867 -0.79 . . . . 54.31 108.867 171.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.38 129.61 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 108.065 -1.087 . . . . 75.55 108.065 168.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.15 132.44 36.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.933 0.397 . . . . 71.22 111.02 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-N 115.736 -0.665 . . . . 62.35 110.086 177.901 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.02 0 N-CA-C 112.321 -0.312 . . . . 51.44 112.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 p -85.01 169.28 14.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.781 0.325 . . . . 75.52 111.35 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -122.2 -177.39 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.834 -0.802 . . . . 75.34 108.834 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.55 105.5 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.549 -0.908 . . . . 71.13 108.549 171.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -86.24 102.83 14.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.16 0.505 . . . . 73.33 110.48 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t -82.52 -47.27 12.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.503 -0.771 . . . . 73.13 110.973 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -110.99 105.68 57.24 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.997 -0.371 . . . . 71.44 109.997 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -91.79 24.12 0.55 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.384 2.723 . . . . 72.23 113.646 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -121.5 151.51 40.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.603 0.24 . . . . 74.45 110.531 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.24 93.46 8.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.081 0.467 . . . . 73.42 110.817 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -85.19 156.63 20.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.112 -0.699 . . . . 71.44 109.112 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -89.51 -48.79 7.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.635 0.255 . . . . 73.51 111.634 -175.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -82.93 169.51 15.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.019 0.438 . . . . 55.12 111.008 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.05 136.88 16.35 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.911 -0.662 . . . . 51.13 112.315 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.36 174.79 8.79 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.034 -0.358 . . . . 60.11 110.034 175.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.786 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -136.17 145.46 45.79 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.2 -0.296 . . . . 74.42 110.2 -179.383 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.562 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 9.6 m-30 -118.33 168.21 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.313 0.578 . . . . 73.11 111.293 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 75.1 t -98.03 97.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.481 -0.782 . . . . 73.35 109.394 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.491 HD11 ' HB2' ' A' ' 39' ' ' TRP . 11.4 tp -104.76 128.49 52.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.565 . . . . 73.41 109.911 -174.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.95 130.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.766 -0.373 . . . . 65.21 110.673 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.611 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 43.5 t-20 -107.14 148.31 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.639 -0.875 . . . . 70.05 108.639 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.548 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 34.8 t70 -57.02 -36.64 70.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 75.41 111.699 -177.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.46 16.81 23.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.424 . . . . 75.54 111.015 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.611 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 13.2 t70 -121.74 167.56 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.167 -0.679 . . . . 72.21 109.167 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.435 ' NE2' ' HB ' ' A' ' 60' ' ' THR . 8.1 mm100 -94.61 -54.75 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.306 0.575 . . . . 74.12 109.984 -178.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.471 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 20.7 p-80 -167.97 128.06 1.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.363 -0.835 . . . . 71.22 110.058 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -119.18 109.74 16.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.998 0.428 . . . . 74.25 111.205 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.513 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -77.16 93.99 4.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.11 -1.07 . . . . 62.1 108.11 172.775 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.451 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 15.7 t-105 -107.78 119.54 50.0 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.757 -167.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.786 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.5 Cg_exo -68.01 148.19 75.33 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.738 2.292 . . . . 74.14 111.889 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -76.77 -3.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 74.32 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -85.38 -12.42 52.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.19 -0.914 . . . . 63.22 109.27 174.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.31 163.91 12.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.403 -0.817 . . . . 74.2 110.679 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.29 126.13 28.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.603 . . . . 73.54 111.379 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mm -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.223 -0.444 . . . . 72.42 109.843 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -84.47 -153.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 123.337 2.691 . . . . 52.44 111.712 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.93 153.62 32.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.799 -0.445 . . . . 64.52 109.799 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.621 ' CA ' HD22 ' A' ' 67' ' ' LEU . . . 97.46 29.89 7.6 Favored Glycine 0 CA--C 1.508 -0.355 0 C-N-CA 120.535 -0.841 . . . . 71.31 112.04 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.491 ' HB2' HD11 ' A' ' 19' ' ' LEU . 65.2 p-90 -117.94 165.78 13.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.203 0.525 . . . . 75.23 111.382 -174.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -145.97 113.92 6.51 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.416 -0.811 . . . . 71.53 109.138 170.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.464 HG21 ' CZ3' ' A' ' 39' ' ' TRP . 96.6 t -76.9 100.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.216 -0.661 . . . . 71.24 109.216 175.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -77.62 -32.1 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.829 -0.623 . . . . 74.14 110.649 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.566 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 63.9 t-80 -142.83 142.03 31.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.768 -0.651 . . . . 72.12 109.746 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.78 -154.91 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.03 -0.605 . . . . 64.42 113.156 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.562 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.3 97.85 10.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.462 1.125 . . . . 75.21 111.158 -173.465 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.609 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.52 166.54 14.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.79 -1.55 . . . . 74.23 109.028 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -39.48 128.52 1.89 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.95 0.781 . . . . 75.44 111.59 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.6 tpt180 -47.53 -49.12 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.394 -0.821 . . . . 64.14 111.938 -174.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.91 81.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.786 0.326 . . . . 71.21 111.847 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.02 71.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 75.34 111.0 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.513 ' HB3' HD21 ' A' ' 28' ' ' LEU . 78.7 m -65.93 -40.35 91.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.373 -0.376 . . . . 53.12 110.493 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.444 HD13 ' HG ' ' A' ' 28' ' ' LEU . 7.6 mp -60.84 -49.98 75.28 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.298 -0.41 . . . . 74.21 110.619 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.94 -45.06 83.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.338 0.59 . . . . 63.52 110.594 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -60.32 -45.4 93.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.408 -0.815 . . . . 62.33 111.431 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.471 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 25.4 m -73.17 -34.86 45.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 121.006 -0.278 . . . . 74.32 111.716 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.11 -36.03 72.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.594 -0.276 . . . . 74.35 111.128 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -71.82 -31.42 66.52 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.499 0.555 . . . . 75.4 112.499 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -82.19 -31.37 30.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 73.12 110.647 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 17.2 t90 69.33 -66.29 0.26 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.199 -0.91 . . . . 74.44 112.866 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.435 ' HB ' ' NE2' ' A' ' 25' ' ' GLN . 10.0 t -134.52 -54.03 0.83 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.396 0.888 . . . . 74.12 113.396 -173.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.404 ' N ' HG23 ' A' ' 60' ' ' THR . 23.0 t70 -135.33 146.32 48.31 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.46 -0.775 . . . . 35.34 112.719 -172.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -157.12 1.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.652 -1.158 . . . . 75.53 109.389 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.497 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 17.2 tpt180 -177.6 136.51 0.38 Allowed Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.001 -0.545 . . . . 73.24 109.77 -169.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.497 ' HD2' ' HD2' ' A' ' 63' ' ' ARG . 75.3 Cg_exo -50.5 140.0 36.6 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.974 2.449 . . . . 64.34 112.748 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HG3' ' HA ' ' A' ' 22' ' ' ASP . 8.6 ptpp? -152.03 148.17 27.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.903 -0.59 . . . . 73.1 109.417 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.1 t -172.96 -175.65 1.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 53.54 110.609 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.621 HD22 ' CA ' ' A' ' 38' ' ' GLY . 2.5 tm? -111.25 111.9 23.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 63.32 109.87 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -103.44 -28.97 11.47 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.308 -0.627 . . . . 74.11 109.308 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 65.44 99.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.047 -0.978 . . . . 51.44 111.528 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.96 148.53 17.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.601 -0.727 . . . . 74.14 109.663 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.88 137.43 35.97 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.811 -0.441 . . . . 54.31 109.811 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.0 t -108.8 90.52 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.048 0.452 . . . . 75.55 109.783 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -160.01 113.29 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.48 -0.782 . . . . 71.22 109.675 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.495 -0.764 . . . . 62.35 110.357 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.77 -0.532 . . . . 51.44 111.77 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -71.35 119.36 15.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.75 0.309 . . . . 75.52 110.567 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -157.8 132.92 8.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.382 -0.372 . . . . 75.34 110.145 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.1 tpp -113.38 81.78 1.56 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.086 -0.709 . . . . 71.13 109.086 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -80.97 103.86 11.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.591 -0.732 . . . . 73.33 110.634 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.5 m -108.89 103.39 12.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.882 -0.599 . . . . 73.13 109.836 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -118.05 152.08 49.88 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.956 -0.566 . . . . 71.44 110.401 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.5 39.79 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.032 2.488 . . . . 72.23 112.983 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -123.52 -94.16 0.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.487 -0.56 . . . . 74.45 109.487 178.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -168.56 166.56 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.833 -0.803 . . . . 73.42 108.833 176.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -150.52 167.2 27.92 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.086 -0.339 . . . . 71.44 110.086 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.96 -9.13 58.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.545 -0.298 . . . . 73.51 111.43 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -84.08 18.02 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 55.12 111.261 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.55 92.74 1.61 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.565 -0.826 . . . . 51.13 112.081 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 159.95 33.69 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.087 0.47 . . . . 60.11 110.45 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.677 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -123.46 145.12 49.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 74.42 110.131 -174.302 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.422 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.97 158.44 25.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.409 -0.36 . . . . 73.11 110.097 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.58 97.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.996 -0.742 . . . . 73.35 108.996 175.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.501 HD12 ' HB2' ' A' ' 39' ' ' TRP . 25.6 tp -110.73 154.47 23.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.705 -0.679 . . . . 73.41 110.514 -172.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.82 131.21 62.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.638 -0.71 . . . . 65.21 109.588 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -115.59 148.55 39.47 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.879 -0.786 . . . . 70.05 108.879 173.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.93 -20.56 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.574 0.583 . . . . 75.41 112.574 -169.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.99 14.24 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 75.54 111.71 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -142.42 -163.42 1.6 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.146 -1.057 . . . . 72.21 108.146 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.48 ' HB2' HG21 ' A' ' 60' ' ' THR . 20.8 mt-30 -101.89 -52.81 3.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.297 0.57 . . . . 74.12 109.889 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' ' 60' ' ' THR . 58.7 m-70 -154.77 163.64 39.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.768 -0.827 . . . . 71.22 108.768 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 m -148.44 128.36 13.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.762 0.315 . . . . 74.25 111.385 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.72 98.95 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.453 -0.943 . . . . 62.1 108.453 169.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -107.58 124.37 35.21 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.731 -0.668 . . . . 74.32 110.748 -169.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.86 134.51 32.48 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.584 2.189 . . . . 74.14 112.116 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.91 -16.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 74.32 110.959 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -74.3 -14.59 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.014 0.435 . . . . 63.22 110.529 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.44 141.14 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 74.2 110.346 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -67.9 134.72 51.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.036 -0.529 . . . . 73.54 110.842 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.61 120.09 79.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.246 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.19 -99.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.059 2.506 . . . . 52.44 114.539 -171.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.37 44.18 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.964 -0.46 . . . . 64.52 111.232 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 30.02 76.48 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.646 -0.788 . . . . 71.31 111.349 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.501 ' HB2' HD12 ' A' ' 19' ' ' LEU . 49.5 p-90 -95.97 139.22 32.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.67 0.748 . . . . 75.23 112.572 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 3.2 mpt_? -124.72 114.8 19.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.833 -1.076 . . . . 71.53 109.256 173.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.95 112.11 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 71.24 110.136 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -80.2 -40.36 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.062 -0.517 . . . . 74.14 109.65 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -157.76 156.15 31.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.426 -0.807 . . . . 72.12 109.867 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.422 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -78.2 -139.81 1.49 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.763 -0.732 . . . . 64.42 111.684 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.609 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 1.7 pp20? -78.62 97.93 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.159 0.98 . . . . 75.21 110.204 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.578 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -111.81 166.41 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.435 -1.257 . . . . 74.23 109.155 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -45.64 128.34 8.36 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.401 0.438 . . . . 75.44 111.909 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.677 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.1 tpt180 -52.54 -52.4 55.06 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.79 -0.641 . . . . 64.14 111.748 -176.363 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.51 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 71.21 110.995 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.33 93.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 75.34 111.405 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.6 m -62.4 -50.39 71.73 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.79 0.329 . . . . 53.12 110.739 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.51 -47.69 84.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.63 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.61 -42.91 75.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.128 0.489 . . . . 63.52 110.455 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.7 -51.56 67.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.44 -0.8 . . . . 62.33 111.579 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.68 -34.75 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.807 0.299 . . . . 74.32 111.807 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.524 ' HG2' ' HA ' ' A' ' 62' ' ' LEU . 50.1 mt-10 -72.16 -32.56 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.33 0.11 . . . . 74.35 111.1 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -62.62 -28.07 69.65 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.963 0.411 . . . . 75.4 110.38 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.416 ' N ' HD21 ' A' ' 58' ' ' ASN . 0.9 OUTLIER -90.75 14.75 12.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.815 -0.63 . . . . 73.12 110.474 178.533 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 11.3 m-90 62.06 29.26 17.59 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.748 -0.66 . . . . 74.44 111.754 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.543 HG23 ' HB2' ' A' ' 26' ' ' HIS . 22.7 m -94.71 94.9 8.39 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.955 -0.298 . . . . 74.12 110.765 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.05 44.13 30.8 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.982 0.801 . . . . 35.34 110.57 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.595 HD23 ' H ' ' A' ' 62' ' ' LEU . 2.3 pt? -64.2 132.62 50.9 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.798 -0.637 . . . . 75.53 110.793 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -120.87 114.15 32.64 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.031 -0.531 . . . . 73.24 110.69 -176.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -68.16 85.52 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.236 1.957 . . . . 64.34 111.969 176.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -95.22 -5.47 43.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 73.1 110.735 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.1 t -166.0 157.58 13.88 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.917 -0.772 . . . . 53.54 108.917 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -111.83 -43.8 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.039 -0.726 . . . . 63.32 109.039 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -125.9 94.83 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.016 -0.538 . . . . 74.11 110.189 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -108.41 147.16 32.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.386 -0.598 . . . . 51.44 109.386 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.38 92.89 5.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.017 0.437 . . . . 74.14 112.118 -172.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 64.2 mtt -104.84 65.13 0.74 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.752 -0.833 . . . . 54.31 108.752 169.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 p -93.83 -7.02 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.139 -0.937 . . . . 75.55 110.239 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 67.84 21.32 9.11 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.463 -0.79 . . . . 71.22 111.5 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.246 0.869 0 C-N-CA 123.45 0.7 . . . . 62.35 111.971 177.216 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.155 -0.378 . . . . 51.44 112.155 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -112.8 156.3 23.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.851 -0.426 . . . . 75.52 109.851 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -152.44 49.79 0.76 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.598 -0.519 . . . . 75.34 109.598 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.1 ptt? 41.56 46.24 3.03 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.115 -0.948 . . . . 71.13 111.669 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -31.29 23.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.954 -1.021 . . . . 73.33 110.245 176.268 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 m -73.06 121.83 20.81 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.565 -0.743 . . . . 73.13 110.252 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -62.7 130.09 93.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.065 0.459 . . . . 71.44 110.192 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.22 30.38 0.47 Allowed 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 123.234 2.622 . . . . 72.23 113.208 -174.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -93.76 81.25 4.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.966 0.413 . . . . 74.45 110.426 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -97.89 157.52 16.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.416 -0.587 . . . . 73.42 109.416 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -134.17 -39.28 0.85 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.372 -0.376 . . . . 71.44 110.293 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -75.66 112.63 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 73.51 110.068 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -90.3 133.52 34.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.082 -0.508 . . . . 55.12 110.709 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.64 126.9 3.16 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.63 -0.795 . . . . 51.13 112.246 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.89 162.07 14.54 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.18 -0.304 . . . . 60.11 110.18 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.625 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -128.21 145.69 50.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.372 -0.376 . . . . 74.42 110.472 -178.682 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.855 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 6.6 m-30 -115.57 164.13 14.76 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.325 177.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.16 100.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 73.35 109.501 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.497 HD11 ' HB2' ' A' ' 39' ' ' TRP . 14.9 tp -109.34 128.0 54.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.416 -0.587 . . . . 73.41 109.416 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.648 HG22 HD21 ' A' ' 62' ' ' LEU . 58.5 t -125.24 132.45 71.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.062 0.458 . . . . 65.21 111.013 -178.654 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -92.63 160.37 15.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 70.05 109.129 179.047 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.38 -19.72 65.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.26 0.552 . . . . 75.41 110.721 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -102.34 2.19 36.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.894 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -119.32 166.6 12.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.048 -0.524 . . . . 72.21 110.838 -171.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.59 ' HG2' ' HA ' ' A' ' 61' ' ' ASP . 59.7 mt-30 -113.08 -35.07 5.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 74.12 110.651 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.445 ' HB2' HG22 ' A' ' 55' ' ' VAL . 46.6 p-80 -166.21 127.92 1.85 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.585 -0.28 . . . . 71.22 111.633 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.6 m -145.71 136.62 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.256 0.551 . . . . 74.25 110.816 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.9 114.65 28.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.488 -0.56 . . . . 62.1 109.488 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -118.07 122.77 30.09 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.097 -173.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.48 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 34.4 Cg_endo -65.53 144.34 78.79 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.524 2.149 . . . . 74.14 112.317 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -74.35 -1.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 74.32 111.113 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -96.57 5.05 51.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.754 -0.657 . . . . 63.22 109.503 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.6 163.78 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.719 -0.673 . . . . 74.2 111.007 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -75.98 140.26 41.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 73.54 110.971 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mt -116.61 117.4 38.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 72.42 109.834 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -86.33 -104.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.053 2.502 . . . . 52.44 113.753 -172.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.49 164.98 33.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.791 -0.448 . . . . 64.52 109.791 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.79 29.63 62.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.573 -0.822 . . . . 71.31 111.89 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.497 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.7 p-90 -119.14 156.08 30.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.143 0.497 . . . . 75.23 111.587 -174.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.496 ' HG3' ' HB3' ' A' ' 64' ' ' PRO . 15.9 mmm180 -137.02 129.81 30.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.554 -0.748 . . . . 71.53 110.274 172.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.13 105.86 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.284 -0.636 . . . . 71.24 109.284 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -77.03 -36.32 24.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 74.14 110.595 -176.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.527 ' HE1' ' HB1' ' A' ' 46' ' ' ALA . 64.5 t-80 -154.88 150.26 27.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 72.12 109.672 -177.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.56 -151.05 5.33 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.086 -0.578 . . . . 64.42 112.431 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.855 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.12 98.26 8.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.499 1.143 . . . . 75.21 111.939 -173.053 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.625 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.98 165.87 15.33 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 113.517 -1.674 . . . . 74.23 108.644 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.9 m -43.91 130.38 5.78 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.516 0.51 . . . . 75.44 111.386 -176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -50.9 -49.4 59.51 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.965 -0.562 . . . . 64.14 111.509 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.882 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.21 81.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 75.34 110.651 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.429 ' O ' HG21 ' A' ' 55' ' ' VAL . 84.9 m -65.81 -45.84 80.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 53.12 110.63 177.034 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 74.4 mt -59.23 -49.59 77.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.233 -0.44 . . . . 74.21 110.883 176.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.42 -45.48 88.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.234 0.54 . . . . 63.52 110.61 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.22 -0.9 . . . . 62.33 111.31 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.445 HG22 ' HB2' ' A' ' 26' ' ' HIS . 28.7 m -72.58 -34.89 49.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.27 0.47 . . . . 74.32 112.27 -175.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 42.1 mt-10 -72.1 -29.98 64.63 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.912 -0.315 . . . . 74.35 110.643 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -74.11 -15.21 61.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.474 175.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -71.68 -45.05 63.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.012 -0.736 . . . . 73.12 109.012 171.368 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 58.69 26.57 14.74 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.421 -0.809 . . . . 74.44 111.529 169.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.7 m -124.37 147.12 48.44 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.343 -0.39 . . . . 74.12 110.299 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.59 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . 16.0 t70 -67.06 96.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.265 -1.013 . . . . 35.34 108.265 173.223 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.648 HD21 HG22 ' A' ' 20' ' ' VAL . 32.6 tp -81.72 101.83 10.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.805 -0.634 . . . . 75.53 111.762 -166.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -117.58 140.61 27.71 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.374 -0.83 . . . . 73.24 109.247 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.496 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 25.9 Cg_endo -62.5 130.41 29.9 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.661 2.24 . . . . 64.34 112.883 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -87.6 148.82 24.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 73.1 109.961 175.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.5 t -78.87 96.47 5.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.219 0.533 . . . . 53.54 110.297 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 pp -139.45 158.47 44.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 63.32 110.115 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.434 HH11 ' HD3' ' A' ' 68' ' ' ARG . 33.1 mtt180 -130.38 122.17 27.33 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.896 -0.409 . . . . 74.11 109.896 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -96.71 142.47 28.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.938 0.399 . . . . 51.44 110.843 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.22 87.41 5.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.764 -0.653 . . . . 74.14 110.124 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.44 95.98 10.51 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.737 -0.838 . . . . 54.31 108.737 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.54 140.0 39.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 75.55 110.696 -175.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.48 152.75 21.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.952 -0.567 . . . . 71.22 110.767 -176.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.245 0.82 0 N-CA-C 108.233 -1.025 . . . . 62.35 108.233 178.567 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.846 -0.502 . . . . 51.44 111.846 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -70.3 104.92 2.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.936 0.398 . . . . 75.52 111.355 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -130.05 131.22 45.72 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.369 -0.604 . . . . 75.34 109.369 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -99.22 97.56 8.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.036 0.446 . . . . 71.13 111.891 -171.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -86.52 99.65 11.83 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.486 -0.931 . . . . 73.33 108.486 171.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.603 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 m -80.22 0.56 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.916 -0.584 . . . . 73.13 111.752 -172.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -104.67 99.79 20.12 Favored Pre-proline 0 C--N 1.328 -0.367 0 O-C-N 122.345 -0.222 . . . . 71.44 110.942 -178.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 6' ' ' THR . 2.0 Cg_endo -84.99 -27.76 1.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.96 2.44 . . . . 72.23 111.657 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -107.67 94.87 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 74.45 110.486 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.35 114.51 22.47 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.006 -0.739 . . . . 73.42 109.006 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.06 106.59 0.74 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.611 -0.514 . . . . 71.44 109.611 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -93.65 128.58 39.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.46 0.648 . . . . 73.51 112.397 -170.569 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -144.02 96.43 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.204 -0.907 . . . . 55.12 108.59 170.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.91 -150.03 5.89 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.911 -0.662 . . . . 51.13 111.916 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.71 173.75 12.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 60.11 111.453 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.629 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -146.09 145.84 30.69 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.682 -0.69 . . . . 74.42 109.876 -175.462 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -113.23 158.28 20.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 73.11 110.793 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 t -89.56 97.39 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.852 -0.796 . . . . 73.35 108.852 174.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.495 HD13 ' HB2' ' A' ' 39' ' ' TRP . 28.2 tp -108.37 137.01 47.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 73.41 110.631 -174.752 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.56 145.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.114 -0.698 . . . . 65.21 109.114 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -116.17 -169.56 1.63 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.246 -0.65 . . . . 70.05 109.246 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.8 -43.68 24.81 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.42 -0.512 . . . . 75.41 111.147 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.68 -7.05 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.408 . . . . 75.54 110.987 -179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -112.33 126.94 55.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.587 -0.894 . . . . 72.21 108.587 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -103.95 4.1 34.28 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.69 0.626 . . . . 74.12 112.69 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -165.66 127.66 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 71.22 111.369 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -150.21 107.1 3.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.223 -0.444 . . . . 74.25 110.534 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -79.31 98.51 6.71 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.195 -1.039 . . . . 62.1 108.195 171.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -107.47 117.42 55.92 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.371 -0.832 . . . . 74.32 110.544 -169.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 23.0 Cg_exo -64.96 150.65 87.82 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.879 2.386 . . . . 74.14 112.382 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.414 ' O ' ' HB3' ' A' ' 32' ' ' PHE . 27.7 m -76.34 -169.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.569 . . . . 74.32 110.733 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.414 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 67.8 t80 74.11 -49.32 0.67 Allowed 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.589 0.555 . . . . 63.22 111.07 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.28 154.33 41.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.827 0.346 . . . . 74.2 111.168 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.12 143.45 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.89 0.376 . . . . 73.54 111.037 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.0 mt -98.73 140.7 21.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.914 -0.584 . . . . 72.42 110.222 -176.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.18 -159.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.356 2.704 . . . . 52.44 113.083 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.7 148.2 43.01 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.879 0.371 . . . . 64.52 111.215 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.85 29.78 33.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.892 -0.67 . . . . 71.31 112.467 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.524 ' CE3' HG23 ' A' ' 41' ' ' VAL . 29.4 p-90 -87.24 174.62 8.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.31 0.576 . . . . 75.23 112.207 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.5 113.98 9.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.162 -0.926 . . . . 71.53 109.179 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.524 HG23 ' CE3' ' A' ' 39' ' ' TRP . 82.3 t -94.02 120.87 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.697 0.284 . . . . 71.24 110.272 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.9 t -83.25 -40.84 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 74.14 110.712 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -166.59 156.06 11.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.036 -0.529 . . . . 72.12 110.025 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.473 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -72.53 -150.67 1.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 O-C-N 123.496 0.497 . . . . 64.42 112.979 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.03 97.85 8.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.659 0.742 . . . . 75.21 111.186 -173.468 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.583 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -109.67 166.46 10.88 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.045 -1.434 . . . . 74.23 108.478 173.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 m -44.09 128.14 5.73 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 123.159 0.287 . . . . 75.44 111.626 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 4.0 tmt_? -52.82 -47.55 67.57 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.0 -0.546 . . . . 64.14 111.014 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.55 88.88 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.718 -0.673 . . . . 71.21 111.1 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.43 -30.81 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.549 -0.296 . . . . 75.34 110.813 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.464 ' HB3' HD11 ' A' ' 28' ' ' LEU . 78.1 m -69.61 -48.08 61.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.435 -0.348 . . . . 53.12 110.109 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -57.15 -44.46 83.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.348 -0.387 . . . . 74.21 110.535 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.21 -44.71 75.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.256 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -62.48 -51.42 67.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.098 -0.955 . . . . 62.33 111.156 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.71 -34.89 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.11 0.411 . . . . 74.32 112.11 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.439 ' OE1' ' HG3' ' A' ' 65' ' ' LYS . 50.0 mt-10 -72.3 -39.7 68.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.604 0.24 . . . . 74.35 111.199 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -75.08 -15.05 60.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.615 0.245 . . . . 75.4 111.545 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -14.34 62.7 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.921 -0.399 . . . . 73.12 109.921 170.827 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 70.51 8.67 6.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.603 -0.726 . . . . 74.44 110.62 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 m -90.66 77.7 6.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.213 0.53 . . . . 74.12 110.911 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -165.93 167.75 16.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.478 -0.783 . . . . 35.34 109.377 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.6 -41.37 84.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.851 0.357 . . . . 75.53 110.092 177.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -127.37 86.47 58.55 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 73.24 111.011 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.55 121.3 8.84 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.664 2.243 . . . . 64.34 111.241 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.439 ' HG3' ' OE1' ' A' ' 56' ' ' GLU . 22.0 pttp -134.03 155.93 49.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.178 -0.464 . . . . 73.1 111.089 -175.099 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.4 t -165.24 101.33 0.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.93 -0.767 . . . . 53.54 108.93 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 99.6 mt -111.74 12.54 21.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.174 -0.466 . . . . 63.32 111.714 -172.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.42 HH11 ' HD3' ' A' ' 68' ' ' ARG . 4.6 tpt180 -152.11 127.09 9.68 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.92 -0.312 . . . . 74.11 110.628 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -128.41 82.25 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.776 0.798 . . . . 51.44 110.109 176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.62 116.53 31.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.586 -0.733 . . . . 74.14 111.045 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptm -84.26 91.56 7.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.579 0.704 . . . . 54.31 110.572 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.75 120.39 47.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.621 -0.718 . . . . 75.55 109.666 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.72 170.12 8.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.055 0.455 . . . . 71.22 110.984 -177.004 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.619 -0.705 . . . . 62.35 109.711 178.53 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.76 0 N-CA-C 111.893 -0.483 . . . . 51.44 111.893 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -149.62 111.37 4.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.277 -0.268 . . . . 75.52 110.277 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -64.98 101.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.733 -0.469 . . . . 75.34 109.733 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.4 mtp -73.38 91.45 1.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.949 0.404 . . . . 71.13 111.059 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -69.04 144.17 54.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.039 -0.528 . . . . 73.33 110.02 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 t -91.61 131.12 37.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.317 0.58 . . . . 73.13 111.02 -177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -120.31 99.72 48.03 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 71.44 110.572 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -83.78 -52.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.041 2.494 . . . . 72.23 112.513 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -88.75 121.8 31.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.038 -0.528 . . . . 74.45 111.476 -173.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -105.8 -10.68 16.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.265 -0.643 . . . . 73.42 109.265 173.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -128.19 134.2 49.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.276 -0.874 . . . . 71.44 109.946 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.439 ' OD1' ' HG3' ' A' ' 48' ' ' ARG . 26.8 m-20 -70.44 96.04 1.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.39 0.432 . . . . 73.51 110.401 -177.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -82.42 -29.02 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.993 0.425 . . . . 55.12 111.199 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.05 -148.92 5.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.699 -0.763 . . . . 51.13 111.795 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.82 140.04 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.786 -0.45 . . . . 60.11 109.786 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.796 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 1.3 p90 -123.6 145.53 48.85 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.306 -0.407 . . . . 74.42 110.269 -176.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -117.81 157.11 27.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.073 -0.512 . . . . 73.11 109.778 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.848 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 90.4 t -91.35 97.33 7.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.79 0.805 . . . . 73.35 108.972 173.141 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 39' ' ' TRP . 40.6 tp -103.82 153.93 20.17 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.886 -1.052 . . . . 73.41 109.338 -176.611 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.41 130.26 17.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.348 -0.541 . . . . 65.21 110.265 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.488 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 90.9 m-20 -84.09 150.51 25.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.444 -0.947 . . . . 70.05 108.444 172.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.45 -27.09 68.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.104 0.478 . . . . 75.41 110.82 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.48 6.38 48.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.819 -0.628 . . . . 75.54 111.744 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.488 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 3.5 t70 -117.04 -173.0 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.607 0.241 . . . . 72.21 110.428 -175.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -111.1 -49.79 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 74.12 110.632 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -165.96 128.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.457 -0.338 . . . . 71.22 110.572 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 m -125.85 104.18 8.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.07 0.462 . . . . 74.25 111.119 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.96 98.74 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.764 -0.828 . . . . 62.1 108.764 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 71.9 t-105 -115.07 116.07 42.66 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 74.32 110.859 -169.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.796 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 7.6 Cg_exo -73.0 140.87 32.12 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.836 2.357 . . . . 74.14 111.618 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.74 -7.33 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.028 0.442 . . . . 74.32 111.228 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.13 -24.99 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.518 -0.765 . . . . 63.22 109.575 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.19 148.54 24.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.76 -0.655 . . . . 74.2 109.723 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -73.18 133.64 44.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.859 0.361 . . . . 73.54 111.211 -176.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.5 mt -87.36 127.87 57.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 72.42 111.0 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.51 -149.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.468 2.779 . . . . 52.44 111.777 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.97 156.05 46.89 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 122.182 -0.324 . . . . 64.52 110.274 173.037 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 29.91 5.2 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.91 -0.662 . . . . 71.31 111.662 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.462 ' HB2' HD13 ' A' ' 19' ' ' LEU . 45.0 p-90 -129.74 -179.97 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.311 0.577 . . . . 75.23 111.912 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -150.0 130.77 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.062 -0.972 . . . . 71.53 109.372 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.437 HG21 ' CZ3' ' A' ' 39' ' ' TRP . 95.3 t -87.69 120.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.474 -0.565 . . . . 71.24 109.474 176.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG23 HG13 ' A' ' 18' ' ' VAL . 1.7 m -105.78 -2.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.507 -0.315 . . . . 74.14 111.814 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.848 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 34.3 t60 -170.96 139.9 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.684 -0.487 . . . . 72.12 109.684 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.97 -153.12 25.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 64.42 112.802 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.12 98.53 9.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 122.604 1.193 . . . . 75.21 111.925 -176.743 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.685 ' HB3' ' HE2' ' A' ' 43' ' ' HIS . . . -137.59 166.07 24.81 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.112 -1.404 . . . . 74.23 108.023 172.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -37.23 127.82 0.99 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.034 0.834 . . . . 75.44 112.3 -173.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.439 ' HG3' ' OD1' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -64.24 -37.47 87.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 64.14 110.536 -172.399 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.46 90.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 71.21 111.098 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.54 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 75.34 110.604 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.42 ' HB3' HG21 ' A' ' 18' ' ' VAL . 72.8 m -65.52 -43.94 88.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.1 -0.5 . . . . 53.12 110.806 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.44 -44.59 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 74.21 109.977 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' CG ' ' HZ2' ' A' ' 57' ' ' LYS . 22.4 t70 -62.19 -40.39 95.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.474 -0.33 . . . . 63.52 110.532 179.053 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -60.09 -50.69 72.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.123 -0.489 . . . . 62.33 111.165 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.71 -35.29 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 74.32 111.372 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -72.73 -29.76 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.846 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HZ2' ' CG ' ' A' ' 53' ' ' ASP . 50.6 mttp -76.61 -15.33 59.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 75.4 110.777 174.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -95.53 14.64 22.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.305 0.574 . . . . 73.12 110.042 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -88.43 -160.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.417 -0.81 . . . . 74.44 109.291 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.2 t -88.1 -5.55 58.4 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.086 -0.383 . . . . 74.12 111.58 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.72 102.3 13.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.113 0.482 . . . . 35.34 110.498 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.1 mt -75.73 126.58 31.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.602 -0.726 . . . . 75.53 110.795 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -131.59 137.16 29.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.353 -0.385 . . . . 73.24 110.529 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -62.98 135.83 53.54 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.601 2.2 . . . . 64.34 111.303 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.22 101.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.883 0.373 . . . . 73.1 110.552 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 m -102.66 15.69 28.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.197 0.522 . . . . 53.54 110.711 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.3 mt -110.12 124.2 51.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.003 -0.544 . . . . 63.32 110.518 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -99.59 106.01 17.94 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.795 -0.817 . . . . 74.11 108.795 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -173.67 177.16 2.56 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.449 -0.574 . . . . 51.44 109.449 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.22 4.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.677 -0.238 . . . . 74.14 111.63 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.6 ttp -115.25 101.37 8.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.086 0.469 . . . . 54.31 111.066 -177.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 p -167.62 109.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.651 -0.704 . . . . 75.55 109.339 177.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 67.27 85.37 0.14 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.614 -0.721 . . . . 71.22 109.477 -173.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.327 -0.844 . . . . 62.35 110.579 -174.726 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.465 ' C ' ' H ' ' A' ' 3' ' ' HIS . . . . . . . . 0 N--CA 1.482 1.758 0 CA-C-O 120.238 -0.201 . . . . 51.44 113.125 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m 72.81 -25.75 0.19 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.409 0.684 . . . . 75.52 111.397 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.465 ' H ' ' C ' ' A' ' 1' ' ' GLY . 19.0 m170 -105.43 87.1 2.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.284 -0.636 . . . . 75.34 109.284 169.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.407 ' HE3' ' HA ' ' A' ' 33' ' ' ALA . 97.2 mmm -99.92 97.21 8.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.141 -0.481 . . . . 71.13 110.934 -175.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -70.61 102.93 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.493 -0.558 . . . . 73.33 109.493 173.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.46 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 14.5 p -60.18 137.72 58.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.941 -0.572 . . . . 73.13 111.528 -177.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.844 HD22 ' HB2' ' A' ' 10' ' ' ASP . 34.4 t30 -107.14 99.61 27.95 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.233 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 6' ' ' THR . 95.0 Cg_endo -96.58 2.72 1.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.283 2.655 . . . . 72.23 112.096 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.4 ' CD2' ' HD2' ' A' ' 8' ' ' PRO . 39.4 m-85 -92.65 -63.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.044 -0.525 . . . . 74.45 110.149 -176.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.844 ' HB2' HD22 ' A' ' 7' ' ' ASN . 22.1 m-20 -87.66 168.19 13.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 73.42 109.656 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -111.93 95.35 5.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.258 0.551 . . . . 71.44 111.482 -174.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -87.86 155.54 19.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.724 -0.671 . . . . 73.51 109.597 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -123.37 163.68 20.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.041 0.448 . . . . 55.12 110.86 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.38 -167.53 34.0 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.044 -0.822 . . . . 51.13 111.044 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.486 ' H ' ' HE2' ' A' ' 32' ' ' PHE . . . -79.47 143.12 35.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.928 0.394 . . . . 60.11 110.327 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -131.71 145.56 51.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.919 -0.582 . . . . 74.42 110.286 -177.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -114.8 162.25 17.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.373 . . . . 73.11 110.742 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -90.43 97.18 6.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.964 -0.754 . . . . 73.35 108.964 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 39' ' ' TRP . 29.9 tp -111.07 129.03 56.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 73.41 111.185 -171.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -120.75 143.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.82 -0.807 . . . . 65.21 108.82 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.919 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 39.4 m-80 -120.33 -168.91 1.71 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.724 0.297 . . . . 70.05 110.513 -177.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -67.25 -45.02 77.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.123 -0.489 . . . . 75.41 111.224 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.87 -7.15 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.651 0.263 . . . . 75.54 111.629 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.919 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 15.1 m-20 -92.46 106.01 18.08 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.66 -0.496 . . . . 72.21 109.66 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -66.08 -43.49 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.5 -0.773 . . . . 74.12 111.772 -169.11 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.775 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 37.1 p-80 -160.21 128.28 4.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.958 0.409 . . . . 71.22 110.688 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 m -143.42 135.69 27.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.066 0.46 . . . . 74.25 111.08 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.503 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.5 mm? -89.29 102.55 15.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.793 -0.817 . . . . 62.1 108.793 172.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -107.41 126.26 30.42 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.814 -0.63 . . . . 74.32 110.952 -170.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -63.05 131.04 31.0 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.853 2.369 . . . . 74.14 112.222 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.69 -24.63 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.54 -0.755 . . . . 74.32 111.247 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.486 ' HE2' ' H ' ' A' ' 15' ' ' ALA . 95.1 m-85 -86.97 6.45 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 63.22 111.251 -178.183 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.407 ' HA ' ' HE3' ' A' ' 4' ' ' MET . . . -107.56 131.63 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.228 -0.442 . . . . 74.2 109.922 176.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -57.08 127.5 32.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 73.54 111.167 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mt -92.8 132.27 31.63 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.228 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.18 -151.27 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.688 2.925 . . . . 52.44 112.511 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.32 142.63 51.08 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.933 -0.48 . . . . 64.52 110.344 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.53 29.9 3.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 71.31 111.521 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.48 ' CZ3' HG22 ' A' ' 41' ' ' VAL . 53.5 p-90 -122.78 172.33 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.52 0.676 . . . . 75.23 111.905 -173.463 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -148.29 125.5 11.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.069 -0.969 . . . . 71.53 109.129 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.48 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 92.9 t -88.34 110.04 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.917 -0.401 . . . . 71.24 109.917 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -76.24 -37.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.057 0.456 . . . . 74.14 110.285 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -153.28 149.9 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.854 -0.612 . . . . 72.12 110.498 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.68 -157.3 5.53 Favored Glycine 0 N--CA 1.449 -0.463 0 O-C-N 123.719 0.637 . . . . 64.42 112.522 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.464 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.6 pt-20 -77.17 97.77 4.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.799 0.809 . . . . 75.21 111.15 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.537 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.64 166.52 13.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.477 -1.238 . . . . 74.23 109.148 177.12 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 m -37.88 128.21 1.22 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.625 0.578 . . . . 75.44 112.438 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.577 HH11 HD23 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -56.4 -46.95 79.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.734 -0.667 . . . . 64.14 111.616 -175.249 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.5 98.77 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.062 0.458 . . . . 71.21 110.755 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.673 -0.694 . . . . 75.34 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.503 ' HB3' HD11 ' A' ' 28' ' ' LEU . 85.4 m -65.19 -44.86 87.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 53.12 111.279 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.577 HD23 HH11 ' A' ' 48' ' ' ARG . 4.3 mm? -60.04 -47.96 83.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.671 0.272 . . . . 74.21 110.956 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' CG ' ' HZ2' ' A' ' 57' ' ' LYS . 18.6 t70 -55.76 -46.15 77.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.722 0.772 . . . . 63.52 109.776 178.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.72 -51.6 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.593 -1.185 . . . . 62.33 111.456 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.775 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.8 m -67.16 -34.72 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 74.32 111.762 -174.736 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.91 -46.5 57.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.553 -0.294 . . . . 74.35 110.622 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.424 ' HZ2' ' CG ' ' A' ' 53' ' ' ASP . 84.9 mttt -70.23 -23.93 63.0 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.743 0.306 . . . . 75.4 111.702 179.627 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.65 8.64 21.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 73.12 111.061 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -112.39 -70.83 0.79 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.261 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.1 m -159.0 129.01 5.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.164 -0.68 . . . . 74.12 109.164 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -124.4 171.55 9.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 35.34 110.882 -175.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 62' ' ' LEU . 2.5 pt? -138.97 18.0 2.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.354 -0.839 . . . . 75.53 109.141 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -165.94 91.41 0.85 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.996 -1.002 . . . . 73.24 108.975 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -71.99 95.72 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.078 2.519 . . . . 64.34 113.067 -172.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -88.06 120.26 29.23 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.771 -0.826 . . . . 73.1 108.771 173.027 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -53.08 110.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.283 0 O-C-N 123.48 0.487 . . . . 53.54 111.234 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.713 HD21 ' H ' ' A' ' 67' ' ' LEU . 1.9 pt? -107.63 107.63 18.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.31 0.576 . . . . 63.32 110.913 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 68' ' ' ARG . 20.2 ttm-85 -147.24 113.54 5.91 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 74.11 109.849 176.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -137.47 178.63 6.95 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.739 -0.838 . . . . 51.44 108.739 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.42 96.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.962 -0.385 . . . . 74.14 109.962 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.1 ptp -103.21 -15.53 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.968 -0.56 . . . . 54.31 110.845 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.65 111.19 25.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.719 0.771 . . . . 75.55 110.861 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.17 168.28 10.44 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.671 -0.695 . . . . 71.22 109.214 173.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.484 -0.77 . . . . 62.35 109.996 179.038 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 N-CA-C 111.822 -0.511 . . . . 51.44 111.822 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -84.25 130.43 34.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.607 0.242 . . . . 75.52 110.72 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -71.78 83.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.438 0.637 . . . . 75.34 110.166 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.3 mtt -123.85 88.52 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.69 -0.687 . . . . 71.13 109.484 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -68.4 96.84 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.961 -0.563 . . . . 73.33 110.773 -177.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.439 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -160.28 147.8 16.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.101 -0.954 . . . . 73.13 109.316 -179.369 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.432 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 63.7 t30 -105.26 100.14 23.89 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.502 -0.555 . . . . 71.44 109.502 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.439 ' HD3' ' O ' ' A' ' 6' ' ' THR . 3.1 Cg_endo -86.16 -17.43 3.79 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.956 2.437 . . . . 72.23 113.235 -174.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -113.7 161.66 17.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.202 0.525 . . . . 74.45 111.5 -174.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -125.29 153.88 42.57 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.68 -0.859 . . . . 73.42 108.68 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.04 91.7 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.241 0.543 . . . . 71.44 110.87 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -83.36 154.61 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.458 -0.941 . . . . 73.51 108.458 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -71.24 91.9 0.99 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.322 0.582 . . . . 55.12 111.239 -176.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.05 128.96 9.81 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.387 -0.824 . . . . 51.13 111.346 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.43 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . -64.47 158.56 23.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.141 0.496 . . . . 60.11 111.303 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' O ' ' HA ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -136.3 148.83 48.14 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.64 -0.709 . . . . 74.42 109.38 -177.106 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.529 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.0 m-85 -113.56 158.47 20.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 120.838 0.351 . . . . 73.11 110.735 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -83.97 97.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.258 -0.645 . . . . 73.35 109.258 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HB2' ' A' ' 39' ' ' TRP . 25.5 tp -108.6 128.31 54.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.799 -173.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.8 t -117.35 130.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.044 -0.354 . . . . 65.21 110.044 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.7 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.5 t30 -99.76 154.57 18.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.763 -0.653 . . . . 70.05 109.336 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.44 -40.74 79.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 75.41 111.261 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.88 25.76 6.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.932 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.7 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 17.4 t70 -134.43 168.03 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.682 -0.488 . . . . 72.21 109.682 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -108.2 -41.58 4.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.964 0.412 . . . . 74.12 110.418 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -165.65 127.53 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.848 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.7 m -140.95 142.25 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.949 -0.569 . . . . 74.25 110.912 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.729 ' HG ' ' HG2' ' A' ' 48' ' ' ARG . 4.4 mm? -107.53 102.8 12.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.339 -0.615 . . . . 62.1 109.339 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.2 t-105 -107.76 130.12 23.24 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 74.32 110.518 -171.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 33.1 Cg_exo -58.94 148.76 83.04 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.102 2.535 . . . . 74.14 113.16 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.444 HG11 ' HD2' ' A' ' 32' ' ' PHE . 12.8 p -77.11 149.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 74.32 109.93 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.444 ' HD2' HG11 ' A' ' 31' ' ' VAL . 84.5 m-85 71.13 5.91 5.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.049 0.54 . . . . 63.22 111.245 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.06 156.66 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 136.23 48.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.743 0.306 . . . . 73.54 110.409 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.86 131.17 24.26 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 72.42 109.956 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.4 -163.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.066 2.511 . . . . 52.44 112.459 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.83 159.81 15.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.463 -0.335 . . . . 64.52 110.671 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.02 29.49 31.24 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.285 -0.484 . . . . 71.31 112.082 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.49 ' HB2' HD12 ' A' ' 19' ' ' LEU . 68.4 p-90 -104.5 161.86 13.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.232 0.539 . . . . 75.23 111.51 -174.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -148.77 117.28 6.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.322 -0.854 . . . . 71.53 109.495 173.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG22 ' CZ3' ' A' ' 39' ' ' TRP . 97.6 t -84.09 118.23 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.458 -0.337 . . . . 71.24 110.234 178.152 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.12 -36.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.275 0.56 . . . . 74.14 110.271 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -161.33 155.56 22.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.058 -0.719 . . . . 72.12 109.058 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.529 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -69.12 -132.0 0.06 OUTLIER Glycine 0 C--N 1.334 0.441 0 O-C-N 123.382 0.426 . . . . 64.42 113.274 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.575 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.22 97.56 11.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.042 1.401 . . . . 75.21 110.95 -173.837 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.47 152.85 37.44 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 113.249 -1.796 . . . . 74.23 109.14 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 m -46.34 128.39 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.698 0.623 . . . . 75.44 111.585 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.729 ' HG2' ' HG ' ' A' ' 28' ' ' LEU . 4.8 tmm_? -58.79 -37.93 77.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.526 -0.761 . . . . 64.14 110.853 -172.678 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.66 89.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 71.21 111.046 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.3 -33.05 75.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.366 -0.379 . . . . 75.34 111.15 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.426 ' CB ' HD11 ' A' ' 28' ' ' LEU . 67.0 m -66.61 -46.37 76.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.327 -0.397 . . . . 53.12 110.469 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.02 -45.15 87.39 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.357 -0.383 . . . . 74.21 110.207 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.51 -48.03 75.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 63.52 110.58 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.422 ' OH ' ' HE2' ' A' ' 65' ' ' LYS . 19.2 t80 -57.07 -51.8 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.64 . . . . 62.33 111.726 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.19 -39.52 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.703 -0.399 . . . . 74.32 111.355 -174.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.29 -30.66 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.432 -0.349 . . . . 74.35 111.472 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -68.5 -25.52 65.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.846 0.355 . . . . 75.4 111.332 176.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -92.6 -42.22 9.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.562 -0.29 . . . . 73.12 110.959 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 86.6 t90 73.47 -47.92 0.67 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.602 0.761 . . . . 74.44 112.213 175.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.3 t -74.14 148.48 41.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.993 0.425 . . . . 74.12 111.171 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -73.86 -28.05 61.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.66 -0.7 . . . . 35.34 111.127 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.7 tp -106.62 108.08 19.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.121 -0.491 . . . . 75.53 110.712 -175.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -127.74 98.91 27.08 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.74 -0.663 . . . . 73.24 109.611 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -69.48 119.24 6.23 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.897 2.398 . . . . 64.34 112.386 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.422 ' HE2' ' OH ' ' A' ' 54' ' ' TYR . 63.4 mttm -118.33 87.35 2.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 73.1 110.247 175.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.5 m -107.4 99.27 8.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.939 -0.573 . . . . 53.54 110.17 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -137.09 -57.9 0.71 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.075 -0.511 . . . . 63.32 109.623 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -159.17 86.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.784 -0.644 . . . . 74.11 109.772 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -105.15 99.34 8.96 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.477 -0.564 . . . . 51.44 109.477 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.38 172.77 17.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.969 -0.56 . . . . 74.14 110.177 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.2 mtm -85.18 104.68 15.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.81 -0.441 . . . . 54.31 109.81 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.43 -55.38 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.989 -0.551 . . . . 75.55 110.218 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.75 131.5 45.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.386 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.413 -0.803 . . . . 62.35 109.588 175.348 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 111.769 -0.532 . . . . 51.44 111.769 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -101.41 119.29 38.53 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.184 -0.302 . . . . 75.52 110.184 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.696 ' HB3' ' HB3' ' A' ' 36' ' ' PRO . 21.0 t-80 -95.86 82.79 3.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.225 0.535 . . . . 75.34 109.771 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.31 123.07 28.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.59 -0.732 . . . . 71.13 110.578 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -89.79 116.51 27.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 73.33 109.885 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 p -72.56 96.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.922 0.391 . . . . 73.13 111.128 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -100.32 118.69 60.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.815 -0.629 . . . . 71.44 109.918 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.13 -19.39 63.01 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.047 2.498 . . . . 72.23 112.574 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -95.96 169.44 9.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.572 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -114.83 -13.11 12.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.342 0.592 . . . . 73.42 110.634 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -105.18 167.83 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.542 -0.753 . . . . 71.44 111.848 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.456 ' OD1' ' HB3' ' A' ' 30' ' ' PRO . 2.6 t70 -102.28 151.67 21.96 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.523 -0.762 . . . . 73.51 111.146 -178.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -102.81 -23.67 13.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 55.12 111.383 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.21 -83.45 0.44 Allowed Glycine 0 CA--C 1.507 -0.443 0 C-N-CA 120.473 -0.87 . . . . 51.13 113.048 -172.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.6 149.48 40.78 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.034 -0.583 . . . . 60.11 109.987 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.2 p90 -119.42 145.51 46.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.7 0.286 . . . . 74.42 110.832 -176.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -119.79 157.03 29.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.309 178.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.32 102.12 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.344 -0.613 . . . . 73.35 109.344 174.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' A' ' 39' ' ' TRP . 12.4 tp -110.02 138.83 45.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.791 -0.641 . . . . 73.41 110.597 -173.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.591 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 93.3 t -108.7 140.39 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.883 -0.599 . . . . 65.21 109.593 173.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.428 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 26.8 t-20 -103.76 159.63 15.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.095 -0.502 . . . . 70.05 110.207 -177.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.64 -45.65 48.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 75.41 112.167 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -114.09 -7.11 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.612 0.597 . . . . 75.54 112.612 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 11.4 t70 -111.05 151.97 27.42 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.236 -0.585 . . . . 72.21 110.844 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.504 ' HG2' ' HG ' ' A' ' 62' ' ' LEU . 69.6 mt-30 -72.54 -52.28 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 74.12 112.163 -171.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -157.35 139.03 14.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.99 0.424 . . . . 71.22 111.798 -173.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 m -147.3 132.23 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.096 -0.502 . . . . 74.25 110.287 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 HD12 ' HB3' ' A' ' 51' ' ' CYS . 4.6 mm? -82.36 111.37 18.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.176 -0.676 . . . . 62.1 109.176 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -107.36 116.07 58.6 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.895 -0.593 . . . . 74.32 110.558 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.456 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . 13.7 Cg_exo -70.05 139.22 38.7 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.683 2.256 . . . . 74.14 112.106 177.807 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.68 -2.57 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.235 0.541 . . . . 74.32 110.48 177.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -64.83 -25.84 68.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.455 -0.793 . . . . 63.22 109.977 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.04 158.03 19.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.562 . . . . 74.2 110.073 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.66 143.49 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 73.54 111.206 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.35 115.33 57.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 72.42 109.535 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.696 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 67.2 Cg_endo -83.65 -105.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.911 2.407 . . . . 52.44 113.802 -171.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.77 161.55 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.122 -0.325 . . . . 64.52 110.122 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.93 29.65 72.45 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.966 -0.854 . . . . 71.31 110.966 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TRP . . . . . 0.508 ' HB2' HD13 ' A' ' 19' ' ' LEU . 65.6 p-90 -105.97 148.05 28.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.103 -0.549 . . . . 75.23 111.082 -175.126 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.591 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 42.2 ttt-85 -135.45 114.22 11.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.836 -0.62 . . . . 71.53 109.445 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -86.81 113.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.76 0.314 . . . . 71.24 110.198 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -92.21 -33.66 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.511 . . . . 74.14 110.697 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . 0.516 ' HE1' ' HB1' ' A' ' 46' ' ' ALA . 39.9 t-80 -152.49 145.58 24.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.082 -0.508 . . . . 72.12 109.985 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.68 -151.53 16.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.865 -0.683 . . . . 64.42 112.601 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.98 98.02 11.53 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 122.886 1.327 . . . . 75.21 111.614 -173.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.575 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -135.49 166.32 23.46 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 112.842 -1.981 . . . . 74.23 108.333 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m -31.48 127.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.343 1.027 . . . . 75.44 113.086 -173.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . 0.509 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.3 tmm_? -64.04 -37.17 86.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.543 -0.753 . . . . 64.14 110.712 -173.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.36 84.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.599 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.54 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.539 . . . . 75.34 110.676 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.499 ' HB3' HD12 ' A' ' 28' ' ' LEU . 72.8 m -62.53 -50.99 69.18 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.096 -0.502 . . . . 53.12 110.937 177.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.44 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 6.8 mp -54.73 -49.43 70.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.029 -0.532 . . . . 74.21 111.238 176.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.464 ' CG ' ' HZ3' ' A' ' 57' ' ' LYS . 21.2 t70 -61.2 -41.9 97.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 63.52 110.641 -178.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.88 -45.65 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 62.33 110.668 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.26 -34.47 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.603 -0.439 . . . . 74.32 111.362 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 45.5 mt-10 -67.35 -29.5 69.06 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.682 0.253 . . . . 74.35 111.682 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.464 ' HZ3' ' CG ' ' A' ' 53' ' ' ASP . 55.5 mttp -85.52 -14.85 44.65 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.249 0.833 . . . . 75.4 113.249 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -112.15 15.14 20.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.735 1.383 . . . . 73.12 114.735 -167.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.525 ' HA ' HD23 ' A' ' 62' ' ' LEU . 62.8 p-90 -74.53 6.74 3.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.504 0.593 . . . . 74.44 111.361 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -54.78 -34.06 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.173 0.589 . . . . 74.12 112.493 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.28 -6.62 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.001 0.371 . . . . 35.34 112.001 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.525 HD23 ' HA ' ' A' ' 59' ' ' TRP . 3.7 mm? -88.03 -72.21 0.54 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.118 -0.233 . . . . 75.53 111.137 -177.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 23.1 ttp180 -163.52 122.12 1.28 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.772 0.32 . . . . 73.24 111.008 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.464 ' HA ' ' HZ3' ' A' ' 59' ' ' TRP . 4.9 Cg_exo -77.66 173.3 14.36 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 123.171 2.581 . . . . 64.34 112.02 177.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? 64.47 3.84 2.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.927 -0.579 . . . . 73.1 112.473 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -104.11 112.22 25.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.099 0.476 . . . . 53.54 110.412 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -163.3 -178.83 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.888 -0.782 . . . . 63.32 108.888 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -139.47 179.59 6.46 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.102 -0.333 . . . . 74.11 110.102 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.19 154.37 39.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.027 -0.533 . . . . 51.44 111.004 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.09 77.4 1.38 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.091 -1.077 . . . . 74.14 108.091 169.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.4 tpp -69.34 145.56 52.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.515 -0.766 . . . . 54.31 111.452 -171.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.36 151.94 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.591 -0.732 . . . . 75.55 110.276 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.34 97.11 9.98 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.57 -0.529 . . . . 71.22 109.57 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.545 -0.74 . . . . 62.35 109.295 177.711 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.032 0.444 . . . . 53.33 111.451 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.646 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -154.71 146.65 23.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.937 -0.574 . . . . 61.53 110.105 -175.744 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -120.71 158.16 28.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.261 -0.427 . . . . 73.11 110.307 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 66.5 t -90.41 98.8 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.787 -0.82 . . . . 72.22 108.787 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 39' ' ' TRP . 27.8 tp -113.48 128.3 56.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.672 -0.694 . . . . 73.41 110.495 -172.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 26' ' ' HIS . 47.0 t -129.12 130.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.668 -0.493 . . . . 65.21 109.668 176.52 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.546 ' ND2' ' HB2' ' A' ' 24' ' ' ASP . 10.3 p30 -105.09 173.16 6.42 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.564 -0.532 . . . . 61.42 109.564 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.21 -24.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.023 0.379 . . . . 75.41 112.023 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -101.79 10.79 39.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.707 0.262 . . . . 75.54 111.707 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.546 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.8 t70 -116.0 -174.35 2.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.2 -0.296 . . . . 72.21 110.2 -177.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.49 -50.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.718 -0.219 . . . . 74.12 110.787 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HA ' HG22 ' A' ' 20' ' ' VAL . 45.8 p-80 -165.65 127.79 2.02 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.388 . . . . 71.22 109.954 172.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -145.0 145.16 31.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.44 0.638 . . . . 70.05 111.957 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -98.54 116.03 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.396 -0.82 . . . . 62.1 109.084 172.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 66.8 t-105 -107.48 115.99 58.54 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.128 -175.274 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 23.5 Cg_exo -65.1 131.97 30.37 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.782 2.322 . . . . 73.54 112.526 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t -75.97 77.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 122.069 0.938 . . . . 74.32 109.432 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.53 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.254 -1.339 . . . . 63.22 108.014 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.86 163.75 13.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.097 -0.956 . . . . 74.2 109.153 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.27 143.56 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.907 0.384 . . . . 73.54 110.691 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.418 HG23 HD21 ' A' ' 19' ' ' LEU . 56.8 mt -87.0 124.73 68.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 72.42 109.926 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -106.21 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.864 2.376 . . . . 52.44 113.671 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.02 160.36 43.69 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 122.04 -0.412 . . . . 62.32 110.645 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.76 29.63 63.0 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.862 -0.685 . . . . 71.31 112.075 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.513 ' HB2' HD11 ' A' ' 19' ' ' LEU . 52.7 p-90 -110.05 174.69 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.416 0.627 . . . . 75.23 111.99 -174.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -153.5 127.97 9.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.028 -0.987 . . . . 71.53 109.378 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.59 118.96 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.875 0.369 . . . . 71.24 110.205 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.15 -26.55 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.218 -0.446 . . . . 63.24 110.503 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . 66.0 t60 -165.1 144.84 6.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 72.12 109.914 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.35 -164.49 40.2 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.788 -0.72 . . . . 64.42 112.996 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 1.1 pp20? -74.18 98.72 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.201 1.0 . . . . 75.21 111.726 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.646 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -134.44 166.04 23.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.434 -1.257 . . . . 74.23 108.268 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -30.89 128.31 0.14 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.495 0.924 . . . . 75.44 113.495 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 9.5 tpt180 -54.33 -46.89 72.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.498 -0.774 . . . . 64.14 111.285 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.01 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 71.21 110.931 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.56 -39.49 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.587 . . . . 72.52 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.533 ' HB3' HD11 ' A' ' 28' ' ' LEU . 71.4 m -68.5 -44.43 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 53.12 110.765 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.82 -46.24 90.36 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 110.175 -0.306 . . . . 71.2 110.175 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.653 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 25.9 t70 -55.79 -53.31 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 63.52 110.082 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -54.84 -50.96 67.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.29 -0.414 . . . . 62.33 111.939 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 m -65.71 -37.57 80.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.857 -0.337 . . . . 74.32 111.398 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.47 -34.34 67.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.356 -0.384 . . . . 74.35 110.722 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.653 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 20.5 mtpp . . . . . 0 C--O 1.225 -0.231 0 N-CA-C 109.793 -0.447 . . . . 75.4 109.793 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.909 -0.404 . . . . 53.33 109.909 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -139.5 145.68 39.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.846 -0.427 . . . . 61.53 109.846 177.165 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -110.22 157.56 19.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.712 0.292 . . . . 73.11 110.737 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG12 ' HB ' ' A' ' 42' ' ' VAL . 17.4 t -88.12 97.51 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.136 -0.69 . . . . 72.22 109.136 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 39' ' ' TRP . 15.7 tp -114.73 164.73 13.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.196 -0.456 . . . . 73.41 109.838 -173.422 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.24 130.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 120.838 0.352 . . . . 65.21 110.059 170.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.02 151.23 21.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 61.42 110.076 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -50.69 -38.19 45.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 75.41 112.246 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -101.81 5.49 41.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.808 0.299 . . . . 75.54 111.808 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -117.95 160.7 21.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 72.21 111.174 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -80.06 -45.01 19.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.273 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -165.68 127.94 2.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.778 0.323 . . . . 71.22 110.855 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -120.67 116.05 24.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 70.05 111.612 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 102.28 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.29 0.567 . . . . 62.1 109.631 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -107.41 120.14 48.53 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 74.32 110.615 -171.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.52 134.3 40.75 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.093 2.528 . . . . 73.54 112.65 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.58 76.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.495 -0.775 . . . . 74.32 109.239 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -159.17 -36.48 0.06 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.987 -1.006 . . . . 63.22 109.489 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.53 163.57 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 74.2 109.853 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.91 143.3 55.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 73.54 110.871 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.7 mt -79.68 123.29 84.09 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.034 -0.358 . . . . 72.42 110.034 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 -155.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.21 2.606 . . . . 52.44 112.258 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.43 173.83 6.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.089 -0.337 . . . . 62.32 110.089 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.26 29.97 69.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 71.31 112.039 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.548 ' HB2' HD11 ' A' ' 19' ' ' LEU . 59.5 p-90 -108.53 147.61 31.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.189 0.519 . . . . 75.23 111.798 -173.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 40' ' ' ARG . 38.6 ttt180 -135.63 129.16 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.803 -0.814 . . . . 71.53 108.803 167.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.56 119.0 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.881 0.372 . . . . 71.24 110.059 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' HB ' HG12 ' A' ' 18' ' ' VAL . 40.3 t -83.6 -41.76 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.919 -0.582 . . . . 63.24 109.685 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.61 169.2 20.55 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.757 -0.656 . . . . 72.12 109.887 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.463 ' HA2' ' CE2' ' A' ' 17' ' ' PHE . . . -80.27 -141.63 2.73 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.932 -0.652 . . . . 64.42 113.099 -175.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -88.44 98.08 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.068 0.937 . . . . 75.21 110.392 -178.374 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.529 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.65 166.0 15.58 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.841 -1.527 . . . . 74.23 109.429 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 7.7 m -44.76 128.53 6.82 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.485 0.49 . . . . 75.44 111.227 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -54.66 -54.05 46.81 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.155 -0.475 . . . . 64.14 111.46 -173.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.41 77.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 71.21 111.028 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 47' ' ' SER . . . -69.64 -35.25 75.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 72.52 110.954 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 18' ' ' VAL . 64.5 m -64.23 -51.09 65.34 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.108 -0.331 . . . . 53.12 110.108 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 96.4 mt -55.66 -47.68 76.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.806 -0.634 . . . . 71.2 110.195 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.51 -52.96 61.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.255 -0.884 . . . . 63.52 110.988 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -58.27 -51.27 70.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.814 -0.63 . . . . 62.33 111.809 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 51' ' ' CYS . 28.8 m -66.08 -41.35 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.68 -0.408 . . . . 74.32 111.659 -174.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 18.5 mt-10 -72.64 -31.23 64.95 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.812 -0.355 . . . . 74.35 111.562 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.0 mttp . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 111.765 0.283 . . . . 75.4 111.765 177.227 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' HB3' HG22 ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.234 -0.654 . . . . 53.33 109.234 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.596 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -94.81 145.85 24.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 61.53 111.723 -172.641 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.608 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 2.2 m-85 -111.79 166.37 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.38 -0.827 . . . . 73.11 109.871 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -91.64 97.48 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.309 -0.626 . . . . 72.22 109.309 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 39' ' ' TRP . 29.4 tp -108.63 128.4 54.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.78 0.324 . . . . 73.41 110.612 -174.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -114.62 143.9 23.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.869 -0.789 . . . . 65.21 108.869 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.499 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 15.8 m120 -105.06 174.11 6.02 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.988 -0.375 . . . . 61.42 109.988 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.9 -36.01 42.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.216 0.532 . . . . 75.41 109.884 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -103.16 -6.59 22.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.687 -0.688 . . . . 75.54 111.73 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 18.8 t70 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.622 0.248 . . . . 72.21 110.699 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -80.19 -25.93 39.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.778 1.029 . . . . 74.12 113.778 -171.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.527 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . 19.2 p80 -165.69 131.82 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.084 0.772 . . . . 71.22 113.084 -173.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.2 m -141.02 121.89 14.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.442 -0.799 . . . . 70.05 110.201 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.34 93.51 9.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.663 -0.865 . . . . 62.1 108.663 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -107.7 125.83 31.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.316 -0.856 . . . . 74.32 111.045 -167.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.0 Cg_endo -73.81 141.11 29.98 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.644 2.229 . . . . 73.54 112.767 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.446 HG22 ' HB3' ' A' ' 15' ' ' ALA . 29.8 m -77.95 8.3 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.838 -0.619 . . . . 74.32 111.617 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -92.86 6.13 48.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.516 0.674 . . . . 63.22 109.329 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.63 163.78 27.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.346 -0.843 . . . . 74.2 109.893 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.0 143.55 49.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.865 0.364 . . . . 73.54 111.235 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -106.2 128.62 25.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.09 -0.504 . . . . 72.42 109.801 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.43 -152.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 123.371 2.714 . . . . 52.44 111.998 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.83 154.89 46.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.705 0.288 . . . . 62.32 110.387 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.5 29.7 5.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.887 -0.673 . . . . 71.31 111.682 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.524 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 31.4 p-90 -124.78 173.23 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.372 0.605 . . . . 75.23 112.465 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 5.1 mpt_? -137.69 114.44 10.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.836 -1.074 . . . . 71.53 109.465 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.456 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 81.0 t -83.33 116.13 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.47 -0.567 . . . . 71.24 109.47 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -81.04 -40.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 63.24 110.544 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -153.95 160.96 42.31 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.912 -0.585 . . . . 72.12 109.856 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -141.02 1.53 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.694 -0.765 . . . . 64.42 112.437 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.608 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -85.82 98.08 10.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.327 1.06 . . . . 75.21 110.652 -177.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.449 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.1 166.1 15.06 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.619 -1.628 . . . . 74.23 108.984 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -47.71 128.29 12.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 75.44 111.305 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 1.7 tmm_? -61.84 -37.07 83.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 64.14 111.169 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.83 75.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.342 -0.39 . . . . 71.21 110.974 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.06 98.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.86 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 80.7 m -64.26 -46.29 84.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 53.12 110.92 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 71.2 110.008 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.78 -48.48 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.853 -0.612 . . . . 63.52 110.469 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -61.03 -50.82 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 62.33 111.402 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 26' ' ' HIS . 33.2 m -66.13 -36.08 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.602 0.239 . . . . 74.32 111.615 -175.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -69.35 -40.84 77.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.123 0.487 . . . . 74.35 110.772 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.188 -0.46 . . . . 75.4 111.779 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 120.881 0.372 . . . . 53.33 110.332 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -144.81 145.59 31.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 61.53 109.546 177.643 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -119.08 167.94 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.553 . . . . 73.11 111.029 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 73.8 t -96.59 101.54 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.29 -0.868 . . . . 72.22 109.391 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 39' ' ' TRP . 13.5 tp -101.05 128.41 47.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.565 -0.743 . . . . 73.41 109.896 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -129.13 143.63 40.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.358 -0.383 . . . . 65.21 109.98 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -123.3 172.76 8.4 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.696 -0.853 . . . . 61.42 108.696 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.06 -30.69 70.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.035 0.445 . . . . 75.41 110.585 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -112.93 9.41 18.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.677 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -115.71 128.79 56.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.776 -0.824 . . . . 72.21 108.776 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.94 -53.93 11.57 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.651 -0.42 . . . . 74.12 111.063 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.562 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 5.4 p-80 -167.26 127.97 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.734 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -131.8 131.78 43.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.028 0.442 . . . . 70.05 111.248 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.2 mm? -85.05 106.31 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.895 -0.78 . . . . 62.1 108.895 172.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -109.04 116.02 56.1 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.161 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 21.2 Cg_exo -64.67 141.98 75.01 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.65 2.233 . . . . 73.54 111.851 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 31' ' ' VAL . 16.5 t -79.25 13.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 122.178 0.99 . . . . 74.32 109.54 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -95.64 -9.15 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.914 -1.039 . . . . 63.22 109.314 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.07 163.64 14.46 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.483 -0.781 . . . . 74.2 110.81 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.22 143.66 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 73.54 111.956 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -117.31 120.41 33.46 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 72.42 109.438 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -85.04 -107.96 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.763 2.308 . . . . 52.44 113.353 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.84 166.75 28.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.105 -0.372 . . . . 62.32 110.627 -175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.43 27.51 73.74 Favored Glycine 0 C--N 1.329 0.14 0 C-N-CA 120.794 -0.717 . . . . 71.31 111.934 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.57 ' HB2' HD11 ' A' ' 19' ' ' LEU . 38.2 p-90 -101.08 154.31 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.186 0.517 . . . . 75.23 111.449 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.534 ' HD2' ' C ' ' A' ' 39' ' ' TRP . 3.4 mpt_? -127.39 114.3 17.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.757 -0.656 . . . . 71.53 109.327 174.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.01 107.07 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.46 -0.571 . . . . 71.24 109.46 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -84.64 -29.17 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 63.24 110.903 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.516 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . 71.0 t60 -147.68 144.23 28.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.318 -0.401 . . . . 72.12 110.254 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.08 -158.64 29.85 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.083 -0.579 . . . . 64.42 112.815 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -80.7 98.35 7.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.256 1.027 . . . . 75.21 111.547 -176.307 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.578 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -146.21 166.15 27.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.76 -1.109 . . . . 74.23 108.209 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 m -31.36 127.8 0.18 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.418 1.074 . . . . 75.44 113.299 -168.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.527 ' NH1' HD11 ' A' ' 52' ' ' LEU . 2.3 tmm_? -62.91 -39.09 93.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.947 -1.024 . . . . 64.14 110.452 -173.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.291 -0.413 . . . . 71.21 111.179 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.35 87.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.225 0.536 . . . . 72.52 110.027 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.545 ' HB3' HD11 ' A' ' 28' ' ' LEU . 76.6 m -62.65 -42.29 99.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.647 -0.706 . . . . 53.12 110.344 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.527 HD11 ' NH1' ' A' ' 48' ' ' ARG . 79.5 mt -55.51 -47.88 75.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.563 -0.289 . . . . 71.2 110.815 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.47 -52.3 64.1 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.114 0.483 . . . . 63.52 110.231 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.27 -50.01 75.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.211 -0.904 . . . . 62.33 111.409 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.562 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 21.8 m -67.26 -36.66 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 111.948 0.351 . . . . 74.32 111.948 -175.11 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.94 -39.52 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 74.35 111.295 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.328 -0.396 . . . . 75.4 111.378 178.627 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 109.455 -0.572 . . . . 53.33 109.455 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.712 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -96.68 145.54 25.68 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.929 -0.578 . . . . 61.53 112.195 -170.762 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 3.5 m-85 -113.97 155.56 25.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.638 -0.71 . . . . 73.11 109.529 173.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 51' ' ' CYS . 41.9 t -82.37 97.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.43 -0.581 . . . . 72.22 109.43 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 39' ' ' TRP . 20.3 tp -105.65 128.09 53.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 73.41 110.356 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 94.9 t -108.94 137.83 39.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.31 -0.626 . . . . 65.21 109.31 173.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 1.139 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 43.0 m-80 -96.15 -173.36 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.143 -0.48 . . . . 61.42 109.875 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -76.92 -43.15 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.389 0.614 . . . . 75.41 109.842 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -114.02 17.32 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.324 -0.853 . . . . 75.54 111.497 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 1.139 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 6.7 t70 -120.22 147.08 45.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.444 -0.344 . . . . 72.21 110.636 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.51 -49.63 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 74.12 111.303 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -165.32 134.3 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.319 -0.4 . . . . 71.22 111.146 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.0 m -140.37 124.17 17.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.037 -0.529 . . . . 70.05 110.287 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.36 101.98 10.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.094 -0.706 . . . . 62.1 109.094 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -108.06 116.98 56.1 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.827 . . . . 74.32 110.687 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.712 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 15.4 Cg_exo -69.11 141.34 47.58 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.94 2.426 . . . . 73.54 112.81 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.79 2.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.761 -0.654 . . . . 74.32 111.509 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -76.26 -17.44 59.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.326 0.584 . . . . 63.22 109.779 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.73 148.1 37.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 74.2 110.495 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.16 142.89 57.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.258 -0.428 . . . . 73.54 111.08 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -94.94 119.39 66.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.856 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.9 -157.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.16 2.574 . . . . 52.44 112.205 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HA ' ' HD1' ' A' ' 39' ' ' TRP . . . -104.32 175.33 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.662 -0.496 . . . . 62.32 109.662 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.85 60.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.184 -1.008 . . . . 71.31 110.999 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HB2' HD11 ' A' ' 19' ' ' LEU . 64.5 p-90 -105.76 156.73 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.256 0.55 . . . . 75.23 111.833 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 20.0 tpt180 -142.84 114.07 7.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.299 -0.864 . . . . 71.53 109.116 174.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' CE3' ' A' ' 39' ' ' TRP . 76.9 t -92.39 114.18 28.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.92 0.391 . . . . 71.24 110.315 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.11 -35.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.062 -0.517 . . . . 63.24 110.91 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -159.33 148.82 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 72.12 110.2 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.8 -166.83 31.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.424 -0.417 . . . . 64.42 112.974 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 2.8 pt-20 -69.08 98.4 0.98 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.847 0.832 . . . . 75.21 111.919 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.67 166.36 24.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.402 -1.272 . . . . 74.23 108.294 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -35.71 128.27 0.64 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.779 0.675 . . . . 75.44 112.494 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.586 ' NH1' HD11 ' A' ' 52' ' ' LEU . 2.5 tmm_? -66.85 -41.66 87.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.774 -0.648 . . . . 64.14 110.765 -170.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.9 85.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.548 -0.296 . . . . 71.21 110.832 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.6 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.487 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' HG22 ' A' ' 18' ' ' VAL . 71.5 m -62.02 -49.02 77.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.216 -0.447 . . . . 53.12 110.695 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.586 HD11 ' NH1' ' A' ' 48' ' ' ARG . 94.8 mt -54.3 -50.52 67.14 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.826 174.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.23 -49.34 72.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.549 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.14 -51.58 68.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.535 -0.757 . . . . 62.33 111.411 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.46 -35.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.174 0.435 . . . . 74.32 112.174 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -72.21 -34.1 68.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.654 0.264 . . . . 74.35 111.25 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.678 -0.237 . . . . 75.4 111.502 177.689 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.834 0.35 . . . . 53.33 111.123 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -128.0 145.7 50.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.657 . . . . 61.53 109.875 -177.282 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.464 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.85 158.62 25.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.47 -0.332 . . . . 73.11 110.826 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -84.22 100.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.167 -0.679 . . . . 72.22 109.167 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 39' ' ' TRP . 13.6 tp -111.55 128.23 55.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.324 -0.398 . . . . 73.41 110.425 -171.136 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.75 130.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.292 -0.633 . . . . 65.21 109.292 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 49.2 m-80 -89.6 153.72 20.54 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.124 -0.695 . . . . 61.42 109.124 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.66 -25.81 68.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.904 0.383 . . . . 75.41 110.686 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -114.11 25.63 10.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 75.54 111.459 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 21' ' ' ASN . 14.6 t70 -137.13 160.84 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.159 -0.312 . . . . 72.21 110.159 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -83.07 -50.52 8.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 74.12 111.176 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.567 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -166.02 143.45 5.44 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.647 -0.251 . . . . 71.22 111.165 -176.736 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -147.82 149.68 32.77 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.528 0.68 . . . . 70.05 111.644 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.69 110.61 20.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.782 -0.821 . . . . 62.1 108.782 174.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' HG12 ' A' ' 35' ' ' ILE . 74.5 t-105 -117.82 121.59 31.53 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.549 -0.296 . . . . 74.32 111.283 -171.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 68.6 Cg_endo -75.43 134.25 16.9 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.564 2.176 . . . . 73.54 111.766 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.62 9.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.462 . . . . 74.32 112.02 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -75.34 -29.2 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.019 -0.734 . . . . 63.22 109.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.22 144.91 30.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 74.2 109.744 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.16 130.03 41.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.455 . . . . 73.54 111.437 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 29' ' ' TRP . 29.8 mt -74.37 129.03 84.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.784 -0.644 . . . . 72.42 109.827 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.99 -101.5 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.856 2.371 . . . . 52.44 114.061 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.58 160.28 43.92 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.489 -0.132 . . . . 62.32 110.756 -174.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.73 29.99 66.76 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.089 -0.577 . . . . 71.31 111.969 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' A' ' 19' ' ' LEU . 42.1 p-90 -104.11 139.01 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.582 0.706 . . . . 75.23 112.359 -173.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -119.63 114.91 22.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.894 -1.048 . . . . 71.53 109.559 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.85 110.67 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.683 -0.488 . . . . 71.24 109.683 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.44 -39.07 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.267 0.556 . . . . 63.24 109.603 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -155.13 154.87 33.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.261 -0.881 . . . . 72.12 109.385 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.464 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -80.43 -132.78 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 O-C-N 123.641 0.588 . . . . 64.42 112.918 -176.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -92.75 97.74 10.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.688 1.232 . . . . 75.21 110.562 -177.259 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.524 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -118.4 166.32 12.81 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 113.121 -1.854 . . . . 74.23 109.205 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -43.66 129.75 5.41 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.485 0.491 . . . . 75.44 111.544 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.3 tmm_? -54.08 -47.16 72.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.024 -0.534 . . . . 64.14 110.828 -175.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.51 96.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.509 -0.314 . . . . 71.21 110.61 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.23 86.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 72.52 111.045 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -66.59 -45.56 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 53.12 111.099 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.525 HD23 ' HD2' ' A' ' 48' ' ' ARG . 4.5 mm? -64.98 -42.79 94.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.879 0.371 . . . . 71.2 110.312 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.83 -46.41 81.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.401 0.62 . . . . 63.52 110.04 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.77 -51.35 70.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.939 -1.028 . . . . 62.33 111.304 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.6 m -69.76 -37.3 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.791 0.293 . . . . 74.32 111.791 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.16 -36.75 69.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.624 0.25 . . . . 74.35 111.6 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 120.591 0.234 . . . . 75.4 111.531 177.728 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . . . . . . 0 C--O 1.226 -0.139 0 N-CA-C 109.956 -0.387 . . . . 53.33 109.956 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.493 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -99.52 145.77 27.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 61.53 112.219 -174.119 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.906 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -120.67 155.92 32.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.294 -0.866 . . . . 73.11 110.018 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 43' ' ' HIS . 66.2 t -87.03 98.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.703 -0.481 . . . . 72.22 109.703 175.348 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.1 tp -106.0 129.9 54.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.79 -0.641 . . . . 73.41 110.237 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -109.09 135.05 49.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.845 0.355 . . . . 65.21 110.325 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.614 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . 28.6 t-20 -104.33 162.76 12.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.608 -0.886 . . . . 61.42 108.608 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -56.36 -46.12 80.16 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.297 0.48 . . . . 75.41 112.297 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -114.55 25.52 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.805 0.298 . . . . 75.54 111.805 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.614 ' CB ' ' HB3' ' A' ' 21' ' ' ASN . 37.7 t70 -111.26 155.54 22.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.865 0.364 . . . . 72.21 111.615 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -50.49 7.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.986 -0.552 . . . . 74.12 112.009 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -165.85 128.11 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.858 0.361 . . . . 71.22 110.911 175.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -123.37 104.77 9.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.152 -0.476 . . . . 70.05 110.684 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.07 97.91 7.75 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.903 -0.777 . . . . 62.1 108.903 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 76.3 t-105 -107.56 126.54 29.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.815 -0.63 . . . . 74.32 110.787 -169.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.4 Cg_exo -68.26 131.93 24.64 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.752 2.301 . . . . 73.54 112.542 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.89 -4.26 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 74.32 111.098 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -75.67 -20.93 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.755 -0.657 . . . . 63.22 109.402 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.28 162.8 12.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 74.2 110.169 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.45 121.12 17.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.242 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -83.73 120.75 75.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.212 -0.449 . . . . 72.42 109.946 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.49 -153.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.376 2.717 . . . . 52.44 112.178 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.62 155.8 24.83 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 110.339 -0.245 . . . . 62.32 110.339 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.33 29.99 8.04 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.729 -0.748 . . . . 71.31 111.597 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' A' ' 19' ' ' LEU . 67.9 p-90 -121.72 160.77 23.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.09 0.472 . . . . 75.23 111.496 -173.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 40' ' ' ARG . 4.0 mmt180 -146.02 124.76 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 71.53 110.145 171.249 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.471 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 70.5 t -88.63 124.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 71.24 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.34 -36.37 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.033 0.444 . . . . 63.24 110.879 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.863 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 44.8 t-80 -145.44 144.52 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.512 . . . . 72.12 110.245 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.76 -157.95 14.45 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 121.061 -0.59 . . . . 64.42 113.345 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.906 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.61 99.41 9.54 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 122.569 1.176 . . . . 75.21 111.266 -176.215 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB3' ' HE1' ' A' ' 43' ' ' HIS . . . -144.35 166.09 26.07 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.457 -1.701 . . . . 74.23 108.843 173.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -31.41 128.19 0.17 Allowed 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.445 1.091 . . . . 75.44 113.484 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -55.98 -48.04 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.977 -1.011 . . . . 64.14 110.692 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 71.21 111.074 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.76 92.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 72.52 111.092 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.18 -51.18 68.86 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.452 -0.34 . . . . 53.12 110.972 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 52' ' ' LEU . 4.1 mm? -57.57 -46.98 83.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 71.2 111.239 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.63 -47.92 83.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.527 -0.306 . . . . 63.52 110.914 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.14 -51.63 68.92 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.279 -0.419 . . . . 62.33 111.49 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.61 -38.18 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.628 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -72.81 -29.94 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.926 -0.31 . . . . 74.35 111.64 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? . . . . . 0 N--CA 1.462 0.131 0 C-N-CA 121.189 -0.204 . . . . 75.4 111.034 176.095 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 121.418 0.627 . . . . 53.33 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.631 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -132.86 145.64 51.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.943 -1.026 . . . . 61.53 109.298 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.509 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.0 m-85 -114.98 165.4 12.92 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.018 0.437 . . . . 73.11 111.013 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.69 97.7 7.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 N-CA-C 109.005 -0.739 . . . . 72.22 109.005 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 39' ' ' TRP . 21.0 tp -107.67 129.11 55.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.606 -0.724 . . . . 73.41 110.724 -173.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -114.76 134.27 58.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 65.21 110.102 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.745 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.7 t-20 -111.03 156.09 21.79 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 61.42 108.462 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.49 -38.92 72.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 75.41 111.355 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -109.97 21.07 17.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 75.54 111.422 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.745 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 18.2 t70 -134.09 132.65 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.497 -0.556 . . . . 72.21 109.497 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.64 -53.51 22.03 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 74.12 111.599 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -166.76 128.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.819 -0.173 . . . . 71.22 110.943 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -128.86 135.25 48.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 70.05 111.726 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 51' ' ' CYS . 2.8 mm? -84.03 101.5 11.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.725 -0.842 . . . . 62.1 108.725 170.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -107.69 116.86 56.84 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.705 -0.68 . . . . 74.32 110.681 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.631 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.7 Cg_endo -73.39 155.31 50.95 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.581 2.187 . . . . 73.54 112.31 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.38 -0.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.952 0.406 . . . . 74.32 111.562 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -101.03 24.95 8.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.779 0.799 . . . . 63.22 109.313 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.98 127.99 29.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.5 -0.773 . . . . 74.2 110.113 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -62.57 122.24 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.344 0.592 . . . . 73.54 110.941 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mt -77.01 128.71 80.58 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 72.42 110.722 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.47 -154.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.322 2.682 . . . . 52.44 112.289 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.24 166.5 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.494 0.188 . . . . 62.32 110.563 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 29.49 56.68 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.639 -0.791 . . . . 71.31 111.907 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.0 p-90 -109.66 151.81 26.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.846 0.355 . . . . 75.23 111.686 -174.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . 10.2 mmt180 -144.66 128.83 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.755 -0.657 . . . . 71.53 110.208 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.13 115.55 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.017 -0.538 . . . . 71.24 110.644 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.44 -25.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.076 0.465 . . . . 63.24 110.296 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -157.71 143.46 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.135 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.75 -153.33 10.93 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.848 -0.691 . . . . 64.42 112.167 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.27 98.17 9.27 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.642 1.211 . . . . 75.21 111.259 -174.14 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.628 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.59 166.02 13.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.143 -1.844 . . . . 74.23 108.245 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -44.94 131.43 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.634 0.584 . . . . 75.44 111.179 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.2 tpp180 -51.47 -43.61 62.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 64.14 111.006 -176.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.22 89.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.258 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.05 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 72.52 110.861 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.497 ' HB3' HD11 ' A' ' 28' ' ' LEU . 80.5 m -64.73 -44.98 88.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.969 -0.56 . . . . 53.12 110.796 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 48' ' ' ARG . 95.4 mt -61.98 -44.45 96.72 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.828 0.347 . . . . 71.2 110.43 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.01 -46.72 82.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 63.52 110.11 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -62.62 -51.89 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 62.33 111.651 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.7 m -65.35 -40.96 90.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.655 0.264 . . . . 74.32 111.617 -174.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -72.77 -39.76 66.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.45 -0.341 . . . . 74.35 111.769 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 120.747 0.308 . . . . 75.4 111.467 178.713 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.05 0.452 . . . . 53.33 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -139.75 147.16 40.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 61.53 110.029 -176.8 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.624 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -118.05 163.08 17.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.301 -0.409 . . . . 73.11 110.381 177.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.2 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.208 -0.664 . . . . 72.22 109.208 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.7 tp -105.94 128.23 53.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.682 -0.69 . . . . 73.41 109.845 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 26' ' ' HIS . 88.3 t -126.9 133.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.995 0.426 . . . . 65.21 111.313 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -104.46 150.39 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.519 -0.919 . . . . 61.42 108.519 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -68.19 -14.54 63.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.853 0.359 . . . . 75.41 111.191 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.62 17.35 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.104 -0.498 . . . . 75.54 110.182 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.37 -166.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.837 -0.801 . . . . 72.21 108.837 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -125.46 -53.47 1.59 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.214 -0.304 . . . . 74.12 110.419 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HA ' HG22 ' A' ' 20' ' ' VAL . 25.4 p80 -166.14 144.87 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.327 . . . . 71.22 110.476 173.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 m -148.79 127.16 12.24 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.401 -0.363 . . . . 70.05 110.321 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.72 109.09 17.78 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.057 -0.72 . . . . 62.1 109.057 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 77.3 t-105 -107.62 116.31 57.82 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.912 -171.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 15.0 Cg_exo -69.34 139.34 41.45 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.043 2.495 . . . . 73.54 111.827 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.15 -1.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.728 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -68.38 -33.09 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.217 0.532 . . . . 63.22 110.312 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.15 139.89 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 74.2 109.4 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.63 143.33 48.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.791 -0.364 . . . . 73.54 110.04 -176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.413 HG23 HD21 ' A' ' 19' ' ' LEU . 56.6 mt -68.82 133.66 90.29 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.917 -0.583 . . . . 72.42 111.418 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.78 -163.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.023 2.482 . . . . 52.44 112.276 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.17 170.23 9.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.331 -0.395 . . . . 62.32 109.981 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.82 69.91 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.79 -0.719 . . . . 71.31 112.304 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HB2' HD11 ' A' ' 19' ' ' LEU . 60.0 p-90 -98.94 154.3 18.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.079 0.466 . . . . 75.23 112.024 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 3.0 tpt180 -149.42 126.14 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.923 -0.769 . . . . 71.53 108.923 170.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.73 116.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.693 0.282 . . . . 71.24 110.741 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -92.46 -29.53 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.179 0.514 . . . . 63.24 110.707 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -155.98 144.86 20.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.403 -0.591 . . . . 72.12 109.403 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.62 -148.74 9.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.595 -0.812 . . . . 64.42 112.446 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.624 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -83.85 98.21 9.62 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 122.403 1.097 . . . . 75.21 111.297 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.562 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -129.89 160.25 34.12 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.499 -1.682 . . . . 74.23 108.365 172.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 m -39.29 128.4 1.79 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.806 0.691 . . . . 75.44 112.036 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.772 HH11 HD22 ' A' ' 52' ' ' LEU . 6.3 tmm_? -51.8 -48.33 63.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.701 -0.681 . . . . 64.14 110.993 -174.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.14 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.495 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.94 65.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 72.52 111.127 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.12 -46.62 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 53.12 110.386 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.772 HD22 HH11 ' A' ' 48' ' ' ARG . 9.4 mp -57.56 -46.94 83.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 71.2 110.298 173.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.59 -49.02 73.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.792 -0.64 . . . . 63.52 110.588 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.93 -51.52 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 62.33 111.606 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.07 -41.14 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.852 -0.339 . . . . 74.32 111.691 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.47 -38.89 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.589 -0.278 . . . . 74.35 111.695 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 120.672 0.272 . . . . 75.4 111.385 179.431 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 120.859 0.362 . . . . 53.33 110.304 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.659 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -146.3 145.74 30.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.868 -0.605 . . . . 61.53 109.374 -176.653 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.458 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.1 m-85 -121.37 157.47 30.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.834 0.349 . . . . 73.11 110.504 -178.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t -90.72 97.48 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.016 -0.735 . . . . 72.22 109.016 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.9 tp -100.22 137.77 38.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.314 -0.857 . . . . 73.41 110.17 -172.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -131.47 134.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.931 0.396 . . . . 65.21 110.52 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -117.99 152.59 35.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.736 -0.839 . . . . 61.42 108.736 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.85 -32.31 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 75.41 110.63 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.07 12.48 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.771 -0.649 . . . . 75.54 110.374 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -135.81 -166.71 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.818 -0.808 . . . . 72.21 108.818 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 26' ' ' HIS . 13.3 pt20 -129.39 -52.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.535 0.207 . . . . 74.12 110.659 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 49.7 m-70 -162.92 127.98 3.14 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.436 0.695 . . . . 71.22 109.231 -177.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 m -135.5 131.66 36.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.86 0.362 . . . . 70.05 110.914 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -84.73 102.34 12.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.877 -0.786 . . . . 62.1 108.877 171.821 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CD1' HG12 ' A' ' 35' ' ' ILE . 76.3 t-105 -107.65 115.77 58.63 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.229 -172.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.494 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 67.7 Cg_endo -77.19 143.02 22.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.596 2.197 . . . . 73.54 112.059 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.0 m -75.2 1.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.031 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -63.31 -27.66 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.622 -0.881 . . . . 63.22 108.622 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.64 152.23 26.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.219 -0.9 . . . . 74.2 109.594 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -82.06 143.6 31.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.021 0.439 . . . . 73.54 110.623 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.411 HG12 ' CD1' ' A' ' 29' ' ' TRP . 21.5 mt -84.02 122.37 75.95 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 72.42 109.877 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.96 -98.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 122.914 2.409 . . . . 52.44 113.795 -174.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.53 37.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.314 -0.241 . . . . 62.32 110.826 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.52 72.65 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.987 -0.625 . . . . 71.31 112.389 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HB2' HD11 ' A' ' 19' ' ' LEU . 55.5 p-90 -104.8 161.39 14.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.293 0.568 . . . . 75.23 111.84 -173.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.44 121.47 15.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.337 -0.847 . . . . 71.53 109.48 174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.5 t -92.7 114.0 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.767 0.318 . . . . 71.24 110.649 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -79.53 -42.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 63.24 109.813 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.71 139.33 29.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.37 -0.832 . . . . 72.12 108.993 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -76.57 -134.63 0.58 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.715 -0.755 . . . . 64.42 111.95 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.73 98.23 11.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.584 1.183 . . . . 75.21 110.742 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.659 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -120.07 165.91 14.09 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.219 -1.81 . . . . 74.23 108.251 173.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 m -40.34 128.48 2.36 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.504 0.503 . . . . 75.44 112.059 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 8.7 tpt180 -52.37 -44.65 65.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.892 -0.594 . . . . 64.14 110.573 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.03 89.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.513 -0.767 . . . . 71.21 111.325 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.43 80.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 72.52 111.275 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.419 ' HB3' HD21 ' A' ' 28' ' ' LEU . 71.2 m -64.52 -48.12 76.31 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.947 0.403 . . . . 53.12 110.404 177.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 97.0 mt -59.9 -43.96 94.54 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.057 -0.52 . . . . 71.2 110.053 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.41 -45.56 76.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.252 0.549 . . . . 63.52 110.255 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.03 -51.53 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 62.33 111.046 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.2 m -69.46 -40.1 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.033 0.382 . . . . 74.32 112.033 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 5.6 mm-40 -72.63 -40.16 66.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 74.35 111.477 -176.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 111.91 0.337 . . . . 75.4 111.91 179.296 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.82 -0.437 . . . . 53.33 109.82 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.555 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.71 147.13 25.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.526 -0.306 . . . . 61.53 110.188 -176.645 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -118.48 154.18 32.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.073 -0.512 . . . . 73.11 110.217 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.586 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 70.4 t -82.13 102.89 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.392 -0.966 . . . . 72.22 108.392 169.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.511 ' HG ' ' HE3' ' A' ' 39' ' ' TRP . 20.8 tp -120.98 127.88 52.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.642 -0.708 . . . . 73.41 109.733 -171.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -122.29 130.41 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.978 0.418 . . . . 65.21 110.292 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -93.6 165.43 12.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.939 -0.763 . . . . 61.42 108.939 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.04 -45.6 88.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 75.41 111.325 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -87.05 11.31 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 75.54 110.908 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -117.16 159.79 22.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.997 -0.371 . . . . 72.21 109.997 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -108.67 -35.81 6.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.149 0.426 . . . . 74.12 112.149 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.83 127.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.509 0.195 . . . . 71.22 110.725 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 74.3 m -150.74 144.35 25.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.251 0.548 . . . . 70.05 111.659 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.3 mm? -106.76 114.31 28.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 62.1 109.136 173.348 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 74.4 t-105 -108.41 120.72 45.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.539 -174.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 17.3 Cg_exo -66.97 135.28 37.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.627 2.218 . . . . 73.54 112.406 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.39 -9.65 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.76 0.79 . . . . 74.32 109.933 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -72.48 -17.42 61.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.219 -0.9 . . . . 63.22 109.487 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.79 145.18 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 74.2 109.312 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.24 123.45 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.651 0.262 . . . . 73.54 110.655 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.8 mt -75.4 115.89 49.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.577 . . . . 72.42 110.725 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.06 175.44 10.9 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 123.0 2.467 . . . . 52.44 112.42 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.62 158.26 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.342 -0.39 . . . . 62.32 110.351 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.34 -23.29 36.44 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.425 -0.67 . . . . 71.31 111.425 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.511 ' HE3' ' HG ' ' A' ' 19' ' ' LEU . 32.5 m95 -86.32 147.65 25.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.397 -0.401 . . . . 75.23 110.001 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -110.39 119.38 39.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.258 -0.428 . . . . 71.53 110.175 -176.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.66 120.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.24 110.457 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -99.75 -33.57 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.142 0.496 . . . . 63.24 110.6 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.586 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 58.4 t60 -151.36 143.5 23.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.932 -0.576 . . . . 72.12 109.449 -176.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.99 -158.89 23.65 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.626 -0.797 . . . . 64.42 112.95 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.4 pt-20 -82.29 98.27 8.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.631 0.729 . . . . 75.21 111.187 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.555 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.15 165.9 25.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.826 -1.079 . . . . 74.23 108.237 174.686 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -33.82 128.2 0.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.999 0.812 . . . . 75.44 112.246 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 10.2 ttm180 -62.01 -42.41 99.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.467 -0.333 . . . . 64.14 110.843 -173.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.74 80.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.457 -0.338 . . . . 71.21 110.508 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.99 88.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 72.52 110.54 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.549 ' HB3' HD11 ' A' ' 28' ' ' LEU . 99.3 m -64.23 -50.02 69.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 53.12 110.811 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 8.7 mp -54.49 -52.05 63.13 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.276 -0.42 . . . . 71.2 111.112 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.63 -44.35 77.05 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.985 -0.286 . . . . 63.52 111.042 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.32 -51.73 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.397 -0.365 . . . . 62.33 111.255 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.427 HG23 ' OE1' ' A' ' 56' ' ' GLU . 20.7 m -69.15 -39.62 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 74.32 111.772 -175.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 9.3 mm-40 -72.77 -31.38 64.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.658 -0.246 . . . . 74.35 111.12 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.696 0.284 . . . . 75.4 110.33 174.573 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.906 -0.405 . . . . 53.33 109.906 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.663 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -137.81 145.72 42.66 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.171 -0.468 . . . . 61.53 110.882 -171.7 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.594 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 3.7 m-30 -120.56 156.03 32.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.555 . . . . 73.11 110.065 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t -88.77 97.36 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.182 -0.673 . . . . 72.22 109.182 174.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' A' ' 39' ' ' TRP . 16.0 tp -104.47 134.59 47.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 73.41 110.782 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -130.14 139.14 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.121 -0.491 . . . . 65.21 110.025 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.526 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 27.7 t-20 -124.32 153.5 41.67 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.459 -0.571 . . . . 61.42 109.459 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.47 -38.37 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.028 0.381 . . . . 75.41 112.028 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.31 24.35 12.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.019 0.438 . . . . 75.54 111.231 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 28.0 t70 -126.12 151.26 47.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.182 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.58 -53.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.969 -0.292 . . . . 74.12 110.294 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -166.39 128.24 1.82 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.735 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -117.53 114.31 23.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.167 0.508 . . . . 70.05 111.236 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -87.51 95.24 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.582 -1.266 . . . . 62.1 107.582 170.423 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -107.44 121.5 44.2 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 74.32 111.686 -164.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.75 139.01 39.22 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.972 2.448 . . . . 73.54 111.922 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.76 -10.53 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 74.32 111.283 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.57 -11.62 59.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.392 0.615 . . . . 63.22 109.838 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.98 139.28 41.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.723 -0.671 . . . . 74.2 109.741 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.4 131.02 44.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 73.54 110.786 -176.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.53 133.71 62.87 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 72.42 110.492 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.91 -164.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.475 0.42 0 C-N-CA 123.064 2.509 . . . . 52.44 112.962 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.13 161.19 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 62.32 110.349 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.01 29.68 70.53 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.625 -0.797 . . . . 71.31 111.889 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' A' ' 19' ' ' LEU . 53.1 p-90 -85.79 155.26 21.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.192 0.52 . . . . 75.23 111.856 -175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -135.06 117.44 15.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 71.53 109.587 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' CE3' ' A' ' 39' ' ' TRP . 89.8 t -96.08 114.31 32.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.398 -0.364 . . . . 71.24 110.271 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.56 -46.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.323 0.583 . . . . 63.24 109.648 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -154.56 155.85 35.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 72.12 109.665 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.18 -134.16 0.99 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.992 -0.623 . . . . 64.42 112.393 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -84.07 97.74 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.381 1.086 . . . . 75.21 110.44 -177.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.606 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -113.79 166.15 11.85 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.51 -1.677 . . . . 74.23 108.427 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.2 m -44.26 127.76 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.818 0.342 . . . . 75.44 111.539 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.663 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.7 tmt_? -58.56 -40.13 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.693 -174.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.7 88.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.416 . . . . 71.21 110.747 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.58 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.839 -0.619 . . . . 72.52 111.417 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.548 ' HB3' HD21 ' A' ' 28' ' ' LEU . 81.4 m -62.72 -50.48 70.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 53.12 110.962 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 55' ' ' VAL . 4.3 mm? -63.92 -37.5 87.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 71.2 110.785 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 24.9 t70 -60.53 -52.61 64.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.838 -0.43 . . . . 63.52 109.838 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -54.73 -50.68 67.78 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.102 -0.499 . . . . 62.33 111.734 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 52' ' ' LEU . 34.7 m -67.74 -40.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.687 -0.405 . . . . 74.32 111.991 -174.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.87 -32.97 65.78 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 111.82 0.304 . . . . 74.35 111.82 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 30.6 mtpp . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.897 0.38 . . . . 75.4 110.727 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.034 -0.358 . . . . 53.33 110.034 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.82 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -136.17 145.46 45.79 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.2 -0.296 . . . . 61.53 110.2 -179.383 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.594 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 9.6 m-30 -118.33 168.21 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.313 0.578 . . . . 73.11 111.293 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG13 HG12 ' A' ' 55' ' ' VAL . 75.1 t -98.03 97.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.481 -0.782 . . . . 72.22 109.394 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 39' ' ' TRP . 11.4 tp -104.76 128.49 52.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.565 . . . . 73.41 109.911 -174.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.95 130.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.766 -0.373 . . . . 65.21 110.673 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 43.5 t-20 -107.14 148.31 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.639 -0.875 . . . . 61.42 108.639 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.02 -36.64 70.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 75.41 111.699 -177.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.46 16.81 23.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.424 . . . . 75.54 111.015 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.635 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 13.2 t70 -121.74 167.56 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.167 -0.679 . . . . 72.21 109.167 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -94.61 -54.75 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.306 0.575 . . . . 74.12 109.984 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.476 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 20.7 p-80 -167.97 128.06 1.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.363 -0.835 . . . . 71.22 110.058 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -119.18 109.74 16.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.998 0.428 . . . . 70.05 111.205 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -77.16 93.99 4.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.11 -1.07 . . . . 62.1 108.11 172.775 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 15.7 t-105 -107.78 119.54 50.0 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.757 -167.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.82 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.5 Cg_exo -68.01 148.19 75.33 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.738 2.292 . . . . 73.54 111.889 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -76.77 -3.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 74.32 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -85.38 -12.42 52.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.19 -0.914 . . . . 63.22 109.27 174.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.31 163.91 12.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.403 -0.817 . . . . 74.2 110.679 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.29 126.13 28.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.603 . . . . 73.54 111.379 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mm -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.223 -0.444 . . . . 72.42 109.843 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -84.47 -153.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 123.337 2.691 . . . . 52.44 111.712 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.93 153.62 32.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.799 -0.445 . . . . 62.32 109.799 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.46 29.89 7.6 Favored Glycine 0 CA--C 1.508 -0.355 0 C-N-CA 120.535 -0.841 . . . . 71.31 112.04 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.555 ' HB2' HD11 ' A' ' 19' ' ' LEU . 65.2 p-90 -117.94 165.78 13.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.203 0.525 . . . . 75.23 111.382 -174.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -145.97 113.92 6.51 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.416 -0.811 . . . . 71.53 109.138 170.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 96.6 t -76.9 100.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.216 -0.661 . . . . 71.24 109.216 175.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -77.62 -32.1 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.829 -0.623 . . . . 63.24 110.649 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.574 ' HE1' ' HB2' ' A' ' 46' ' ' ALA . 63.9 t-80 -142.83 142.03 31.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.768 -0.651 . . . . 72.12 109.746 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.78 -154.91 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.03 -0.605 . . . . 64.42 113.156 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.3 97.85 10.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.462 1.125 . . . . 75.21 111.158 -173.465 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.609 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.52 166.54 14.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.79 -1.55 . . . . 74.23 109.028 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -39.48 128.52 1.89 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.95 0.781 . . . . 75.44 111.59 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.404 HH11 HD12 ' A' ' 28' ' ' LEU . 14.6 tpt180 -47.53 -49.12 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.394 -0.821 . . . . 64.14 111.938 -174.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.91 81.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.786 0.326 . . . . 71.21 111.847 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.02 71.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 72.52 111.0 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.551 ' HB3' HD21 ' A' ' 28' ' ' LEU . 78.7 m -65.93 -40.35 91.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.373 -0.376 . . . . 53.12 110.493 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.475 HD12 ' HG ' ' A' ' 28' ' ' LEU . 7.6 mp -60.84 -49.98 75.28 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.298 -0.41 . . . . 71.2 110.619 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.94 -45.06 83.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.338 0.59 . . . . 63.52 110.594 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -60.32 -45.4 93.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.408 -0.815 . . . . 62.33 111.431 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 25.4 m -73.17 -34.86 45.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 121.006 -0.278 . . . . 74.32 111.716 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.11 -36.03 72.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.594 -0.276 . . . . 74.35 111.128 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 83.6 mttt . . . . . 0 C--N 1.331 -0.22 0 N-CA-C 112.499 0.555 . . . . 75.4 112.499 179.531 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.087 0.47 . . . . 53.33 110.45 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -123.46 145.12 49.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 61.53 110.131 -174.302 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.432 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.97 158.44 25.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.409 -0.36 . . . . 73.11 110.097 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.58 97.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.996 -0.742 . . . . 72.22 108.996 175.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 39' ' ' TRP . 25.6 tp -110.73 154.47 23.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.705 -0.679 . . . . 73.41 110.514 -172.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.82 131.21 62.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.638 -0.71 . . . . 65.21 109.588 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -115.59 148.55 39.47 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.879 -0.786 . . . . 61.42 108.879 173.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.93 -20.56 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.574 0.583 . . . . 75.41 112.574 -169.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.99 14.24 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 75.54 111.71 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -142.42 -163.42 1.6 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.146 -1.057 . . . . 72.21 108.146 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -101.89 -52.81 3.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.297 0.57 . . . . 74.12 109.889 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -154.77 163.64 39.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.768 -0.827 . . . . 71.22 108.768 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 m -148.44 128.36 13.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.762 0.315 . . . . 70.05 111.385 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.72 98.95 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.453 -0.943 . . . . 62.1 108.453 169.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -107.58 124.37 35.21 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.731 -0.668 . . . . 74.32 110.748 -169.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.86 134.51 32.48 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.584 2.189 . . . . 73.54 112.116 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.91 -16.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 74.32 110.959 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -74.3 -14.59 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.014 0.435 . . . . 63.22 110.529 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.44 141.14 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 74.2 110.346 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -67.9 134.72 51.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.036 -0.529 . . . . 73.54 110.842 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.61 120.09 79.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.246 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.19 -99.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.059 2.506 . . . . 52.44 114.539 -171.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.37 44.18 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.964 -0.46 . . . . 62.32 111.232 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 30.02 76.48 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.646 -0.788 . . . . 71.31 111.349 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.552 ' HB2' HD11 ' A' ' 19' ' ' LEU . 49.5 p-90 -95.97 139.22 32.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.67 0.748 . . . . 75.23 112.572 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.418 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 3.2 mpt_? -124.72 114.8 19.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.833 -1.076 . . . . 71.53 109.256 173.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.95 112.11 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 71.24 110.136 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -80.2 -40.36 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.062 -0.517 . . . . 63.24 109.65 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -157.76 156.15 31.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.426 -0.807 . . . . 72.12 109.867 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -78.2 -139.81 1.49 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.763 -0.732 . . . . 64.42 111.684 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.634 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 1.7 pp20? -78.62 97.93 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.159 0.98 . . . . 75.21 110.204 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.574 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -111.81 166.41 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.435 -1.257 . . . . 74.23 109.155 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -45.64 128.34 8.36 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.401 0.438 . . . . 75.44 111.909 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.679 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.1 tpt180 -52.54 -52.4 55.06 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.79 -0.641 . . . . 64.14 111.748 -176.363 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.51 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 71.21 110.995 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.33 93.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 72.52 111.405 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.6 m -62.4 -50.39 71.73 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.79 0.329 . . . . 53.12 110.739 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.51 -47.69 84.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.63 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.61 -42.91 75.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.128 0.489 . . . . 63.52 110.455 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.7 -51.56 67.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.44 -0.8 . . . . 62.33 111.579 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.68 -34.75 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.807 0.299 . . . . 74.32 111.807 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.16 -32.56 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.33 0.11 . . . . 74.35 111.1 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.2 mttp . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.963 0.411 . . . . 75.4 110.38 172.321 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.18 -0.304 . . . . 53.33 110.18 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.625 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -128.21 145.69 50.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.372 -0.376 . . . . 61.53 110.472 -178.682 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.899 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 6.6 m-30 -115.57 164.13 14.76 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.325 177.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.16 100.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 72.22 109.501 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 39' ' ' TRP . 14.9 tp -109.34 128.0 54.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.416 -0.587 . . . . 73.41 109.416 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.24 132.45 71.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.062 0.458 . . . . 65.21 111.013 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.431 ' H ' ' HB3' ' A' ' 24' ' ' ASP . 28.0 t-20 -92.63 160.37 15.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 61.42 109.129 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.38 -19.72 65.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.26 0.552 . . . . 75.41 110.721 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -102.34 2.19 36.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.894 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 14.6 t70 -119.32 166.6 12.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.048 -0.524 . . . . 72.21 110.838 -171.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -113.08 -35.07 5.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 74.12 110.651 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.504 ' HB2' HG21 ' A' ' 55' ' ' VAL . 46.6 p-80 -166.21 127.92 1.85 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.585 -0.28 . . . . 71.22 111.633 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.6 m -145.71 136.62 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.256 0.551 . . . . 70.05 110.816 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.9 114.65 28.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.488 -0.56 . . . . 62.1 109.488 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -118.07 122.77 30.09 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.097 -173.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 34.4 Cg_endo -65.53 144.34 78.79 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.524 2.149 . . . . 73.54 112.317 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -74.35 -1.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 74.32 111.113 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -96.57 5.05 51.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.754 -0.657 . . . . 63.22 109.503 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.6 163.78 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.719 -0.673 . . . . 74.2 111.007 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -75.98 140.26 41.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 73.54 110.971 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mt -116.61 117.4 38.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 72.42 109.834 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -86.33 -104.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.053 2.502 . . . . 52.44 113.753 -172.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.49 164.98 33.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.791 -0.448 . . . . 62.32 109.791 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.79 29.63 62.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.573 -0.822 . . . . 71.31 111.89 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.543 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.7 p-90 -119.14 156.08 30.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.143 0.497 . . . . 75.23 111.587 -174.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -137.02 129.81 30.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.554 -0.748 . . . . 71.53 110.274 172.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.13 105.86 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.284 -0.636 . . . . 71.24 109.284 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -77.03 -36.32 24.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 63.24 110.595 -176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.534 ' HE1' ' HB2' ' A' ' 46' ' ' ALA . 64.5 t-80 -154.88 150.26 27.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 72.12 109.672 -177.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.56 -151.05 5.33 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.086 -0.578 . . . . 64.42 112.431 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.899 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.12 98.26 8.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.499 1.143 . . . . 75.21 111.939 -173.053 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.625 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.98 165.87 15.33 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 113.517 -1.674 . . . . 74.23 108.644 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.9 m -43.91 130.38 5.78 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.516 0.51 . . . . 75.44 111.386 -176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -50.9 -49.4 59.51 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.965 -0.562 . . . . 64.14 111.509 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.882 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.21 81.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 72.52 110.651 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' HG22 ' A' ' 55' ' ' VAL . 84.9 m -65.81 -45.84 80.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 53.12 110.63 177.034 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 74.4 mt -59.23 -49.59 77.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.233 -0.44 . . . . 71.2 110.883 176.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.42 -45.48 88.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.234 0.54 . . . . 63.52 110.61 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.22 -0.9 . . . . 62.33 111.31 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 26' ' ' HIS . 28.7 m -72.58 -34.89 49.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.27 0.47 . . . . 74.32 112.27 -175.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 42.1 mt-10 -72.1 -29.98 64.63 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.912 -0.315 . . . . 74.35 110.643 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 mttp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.474 175.066 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.096 0.474 . . . . 53.33 111.453 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.63 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -146.09 145.84 30.69 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.682 -0.69 . . . . 61.53 109.876 -175.462 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.514 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -113.23 158.28 20.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 73.11 110.793 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 t -89.56 97.39 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.852 -0.796 . . . . 72.22 108.852 174.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 39' ' ' TRP . 28.2 tp -108.37 137.01 47.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 73.41 110.631 -174.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.56 145.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.114 -0.698 . . . . 65.21 109.114 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -116.17 -169.56 1.63 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.246 -0.65 . . . . 61.42 109.246 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.8 -43.68 24.81 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.42 -0.512 . . . . 75.41 111.147 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -102.68 -7.05 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.408 . . . . 75.54 110.987 -179.32 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -112.33 126.94 55.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.587 -0.894 . . . . 72.21 108.587 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -103.95 4.1 34.28 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.69 0.626 . . . . 74.12 112.69 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -165.66 127.66 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 71.22 111.369 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -150.21 107.1 3.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.223 -0.444 . . . . 70.05 110.534 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -79.31 98.51 6.71 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.195 -1.039 . . . . 62.1 108.195 171.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -107.47 117.42 55.92 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.371 -0.832 . . . . 74.32 110.544 -169.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 23.0 Cg_exo -64.96 150.65 87.82 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.879 2.386 . . . . 73.54 112.382 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 32' ' ' PHE . 27.7 m -76.34 -169.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.569 . . . . 74.32 110.733 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 67.8 t80 74.11 -49.32 0.67 Allowed 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.589 0.555 . . . . 63.22 111.07 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.28 154.33 41.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.827 0.346 . . . . 74.2 111.168 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.12 143.45 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.89 0.376 . . . . 73.54 111.037 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.0 mt -98.73 140.7 21.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.914 -0.584 . . . . 72.42 110.222 -176.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.18 -159.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.356 2.704 . . . . 52.44 113.083 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.7 148.2 43.01 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.879 0.371 . . . . 62.32 111.215 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.85 29.78 33.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.892 -0.67 . . . . 71.31 112.467 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.58 ' HB2' HD11 ' A' ' 19' ' ' LEU . 29.4 p-90 -87.24 174.62 8.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.31 0.576 . . . . 75.23 112.207 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.5 113.98 9.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.162 -0.926 . . . . 71.53 109.179 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.526 HG23 ' CE3' ' A' ' 39' ' ' TRP . 82.3 t -94.02 120.87 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.697 0.284 . . . . 71.24 110.272 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.9 t -83.25 -40.84 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 63.24 110.712 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -166.59 156.06 11.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.036 -0.529 . . . . 72.12 110.025 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.482 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -72.53 -150.67 1.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 O-C-N 123.496 0.497 . . . . 64.42 112.979 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.514 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.03 97.85 8.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.659 0.742 . . . . 75.21 111.186 -173.468 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.585 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -109.67 166.46 10.88 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.045 -1.434 . . . . 74.23 108.478 173.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 m -44.09 128.14 5.73 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 123.159 0.287 . . . . 75.44 111.626 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.63 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 4.0 tmt_? -52.82 -47.55 67.57 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.0 -0.546 . . . . 64.14 111.014 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.55 88.88 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.718 -0.673 . . . . 71.21 111.1 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.43 -30.81 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.549 -0.296 . . . . 72.52 110.813 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.487 ' HB3' HD11 ' A' ' 28' ' ' LEU . 78.1 m -69.61 -48.08 61.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.435 -0.348 . . . . 53.12 110.109 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -57.15 -44.46 83.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.348 -0.387 . . . . 71.2 110.535 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.21 -44.71 75.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.256 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -62.48 -51.42 67.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.098 -0.955 . . . . 62.33 111.156 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.71 -34.89 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.11 0.411 . . . . 74.32 112.11 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.3 -39.7 68.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.604 0.24 . . . . 74.35 111.199 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.615 0.245 . . . . 75.4 111.545 178.372 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.786 -0.45 . . . . 53.33 109.786 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.824 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 1.3 p90 -123.6 145.53 48.85 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.306 -0.407 . . . . 61.53 110.269 -176.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -117.81 157.11 27.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.073 -0.512 . . . . 73.11 109.778 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.858 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 90.4 t -91.35 97.33 7.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.79 0.805 . . . . 72.22 108.972 173.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 39' ' ' TRP . 40.6 tp -103.82 153.93 20.17 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.886 -1.052 . . . . 73.41 109.338 -176.611 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.41 130.26 17.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.348 -0.541 . . . . 65.21 110.265 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.523 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 90.9 m-20 -84.09 150.51 25.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.444 -0.947 . . . . 61.42 108.444 172.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.45 -27.09 68.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.104 0.478 . . . . 75.41 110.82 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.48 6.38 48.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.819 -0.628 . . . . 75.54 111.744 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 3.5 t70 -117.04 -173.0 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.607 0.241 . . . . 72.21 110.428 -175.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -111.1 -49.79 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 74.12 110.632 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -165.96 128.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.457 -0.338 . . . . 71.22 110.572 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 m -125.85 104.18 8.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.07 0.462 . . . . 70.05 111.119 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.96 98.74 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.764 -0.828 . . . . 62.1 108.764 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 71.9 t-105 -115.07 116.07 42.66 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 74.32 110.859 -169.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.824 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 7.6 Cg_exo -73.0 140.87 32.12 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.836 2.357 . . . . 73.54 111.618 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.74 -7.33 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.028 0.442 . . . . 74.32 111.228 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.13 -24.99 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.518 -0.765 . . . . 63.22 109.575 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.19 148.54 24.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.76 -0.655 . . . . 74.2 109.723 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -73.18 133.64 44.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.859 0.361 . . . . 73.54 111.211 -176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.5 mt -87.36 127.87 57.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 72.42 111.0 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.51 -149.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.468 2.779 . . . . 52.44 111.777 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.97 156.05 46.89 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 122.182 -0.324 . . . . 62.32 110.274 173.037 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 29.91 5.2 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.91 -0.662 . . . . 71.31 111.662 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.488 ' HB2' HD11 ' A' ' 19' ' ' LEU . 45.0 p-90 -129.74 -179.97 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.311 0.577 . . . . 75.23 111.912 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -150.0 130.77 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.062 -0.972 . . . . 71.53 109.372 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.455 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 95.3 t -87.69 120.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.474 -0.565 . . . . 71.24 109.474 176.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.508 HG23 HG12 ' A' ' 18' ' ' VAL . 1.7 m -105.78 -2.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.507 -0.315 . . . . 63.24 111.814 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.858 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 34.3 t60 -170.96 139.9 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.684 -0.487 . . . . 72.12 109.684 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.97 -153.12 25.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 64.42 112.802 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -84.12 98.53 9.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 122.604 1.193 . . . . 75.21 111.925 -176.743 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.604 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.59 166.07 24.81 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.112 -1.404 . . . . 74.23 108.023 172.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -37.23 127.82 0.99 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.034 0.834 . . . . 75.44 112.3 -173.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -64.24 -37.47 87.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 64.14 110.536 -172.399 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.46 90.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 71.21 111.098 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.54 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 72.52 110.604 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.425 ' HB3' HG22 ' A' ' 18' ' ' VAL . 72.8 m -65.52 -43.94 88.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.1 -0.5 . . . . 53.12 110.806 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.44 -44.59 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 71.2 109.977 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.19 -40.39 95.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.474 -0.33 . . . . 63.52 110.532 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -60.09 -50.69 72.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.123 -0.489 . . . . 62.33 111.165 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.71 -35.29 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 74.32 111.372 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -72.73 -29.76 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.846 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 mttp . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 75.4 110.777 174.751 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.928 0.394 . . . . 53.33 110.327 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -131.71 145.56 51.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.919 -0.582 . . . . 61.53 110.286 -177.84 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -114.8 162.25 17.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.373 . . . . 73.11 110.742 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -90.43 97.18 6.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.964 -0.754 . . . . 72.22 108.964 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 39' ' ' TRP . 29.9 tp -111.07 129.03 56.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 73.41 111.185 -171.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -120.75 143.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.82 -0.807 . . . . 65.21 108.82 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.913 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 39.4 m-80 -120.33 -168.91 1.71 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.724 0.297 . . . . 61.42 110.513 -177.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -67.25 -45.02 77.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.123 -0.489 . . . . 75.41 111.224 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.87 -7.15 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.651 0.263 . . . . 75.54 111.629 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.913 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 15.1 m-20 -92.46 106.01 18.08 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.66 -0.496 . . . . 72.21 109.66 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -66.08 -43.49 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.5 -0.773 . . . . 74.12 111.772 -169.11 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.774 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 37.1 p-80 -160.21 128.28 4.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.958 0.409 . . . . 71.22 110.688 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 m -143.42 135.69 27.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.066 0.46 . . . . 70.05 111.08 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.5 mm? -89.29 102.55 15.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.793 -0.817 . . . . 62.1 108.793 172.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -107.41 126.26 30.42 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.814 -0.63 . . . . 74.32 110.952 -170.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -63.05 131.04 31.0 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.853 2.369 . . . . 73.54 112.222 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.69 -24.63 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.54 -0.755 . . . . 74.32 111.247 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -86.97 6.45 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 63.22 111.251 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.56 131.63 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.228 -0.442 . . . . 74.2 109.922 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -57.08 127.5 32.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 73.54 111.167 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mt -92.8 132.27 31.63 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.228 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.18 -151.27 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.688 2.925 . . . . 52.44 112.511 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.32 142.63 51.08 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.933 -0.48 . . . . 62.32 110.344 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.53 29.9 3.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 71.31 111.521 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.543 ' HB2' HD11 ' A' ' 19' ' ' LEU . 53.5 p-90 -122.78 172.33 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.52 0.676 . . . . 75.23 111.905 -173.463 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -148.29 125.5 11.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.069 -0.969 . . . . 71.53 109.129 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.496 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 92.9 t -88.34 110.04 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.917 -0.401 . . . . 71.24 109.917 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -76.24 -37.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.057 0.456 . . . . 63.24 110.285 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -153.28 149.9 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.854 -0.612 . . . . 72.12 110.498 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.68 -157.3 5.53 Favored Glycine 0 N--CA 1.449 -0.463 0 O-C-N 123.719 0.637 . . . . 64.42 112.522 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.6 pt-20 -77.17 97.77 4.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.799 0.809 . . . . 75.21 111.15 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.64 166.52 13.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.477 -1.238 . . . . 74.23 109.148 177.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 m -37.88 128.21 1.22 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.625 0.578 . . . . 75.44 112.438 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.599 HH11 HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -56.4 -46.95 79.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.734 -0.667 . . . . 64.14 111.616 -175.249 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.5 98.77 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.062 0.458 . . . . 71.21 110.755 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.673 -0.694 . . . . 72.52 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.527 ' HB3' HD11 ' A' ' 28' ' ' LEU . 85.4 m -65.19 -44.86 87.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 53.12 111.279 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.599 HD21 HH11 ' A' ' 48' ' ' ARG . 4.3 mm? -60.04 -47.96 83.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.671 0.272 . . . . 71.2 110.956 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -55.76 -46.15 77.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.722 0.772 . . . . 63.52 109.776 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.72 -51.6 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.593 -1.185 . . . . 62.33 111.456 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.774 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.8 m -67.16 -34.72 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 74.32 111.762 -174.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.91 -46.5 57.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.553 -0.294 . . . . 74.35 110.622 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 120.743 0.306 . . . . 75.4 111.702 179.627 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' HG11 ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.141 0.496 . . . . 53.33 111.303 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -136.3 148.83 48.14 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.64 -0.709 . . . . 61.53 109.38 -177.106 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.0 m-85 -113.56 158.47 20.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 120.838 0.351 . . . . 73.11 110.735 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -83.97 97.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.258 -0.645 . . . . 72.22 109.258 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 39' ' ' TRP . 25.5 tp -108.6 128.31 54.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.799 -173.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.8 t -117.35 130.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.044 -0.354 . . . . 65.21 110.044 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.735 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.5 t30 -99.76 154.57 18.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.763 -0.653 . . . . 61.42 109.336 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.44 -40.74 79.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 75.41 111.261 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.88 25.76 6.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.932 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.735 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 17.4 t70 -134.43 168.03 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.682 -0.488 . . . . 72.21 109.682 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -108.2 -41.58 4.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.964 0.412 . . . . 74.12 110.418 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -165.65 127.53 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.848 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.7 m -140.95 142.25 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.949 -0.569 . . . . 70.05 110.912 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.754 ' HG ' ' HG2' ' A' ' 48' ' ' ARG . 4.4 mm? -107.53 102.8 12.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.339 -0.615 . . . . 62.1 109.339 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.2 t-105 -107.76 130.12 23.24 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 74.32 110.518 -171.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 33.1 Cg_exo -58.94 148.76 83.04 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.102 2.535 . . . . 73.54 113.16 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.449 HG13 ' HD2' ' A' ' 32' ' ' PHE . 12.8 p -77.11 149.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 74.32 109.93 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.449 ' HD2' HG13 ' A' ' 31' ' ' VAL . 84.5 m-85 71.13 5.91 5.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.049 0.54 . . . . 63.22 111.245 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.06 156.66 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 136.23 48.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.743 0.306 . . . . 73.54 110.409 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.86 131.17 24.26 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 72.42 109.956 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.4 -163.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.066 2.511 . . . . 52.44 112.459 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.83 159.81 15.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.463 -0.335 . . . . 62.32 110.671 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.02 29.49 31.24 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.285 -0.484 . . . . 71.31 112.082 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.587 ' HB2' HD11 ' A' ' 19' ' ' LEU . 68.4 p-90 -104.5 161.86 13.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.232 0.539 . . . . 75.23 111.51 -174.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -148.77 117.28 6.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.322 -0.854 . . . . 71.53 109.495 173.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.461 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 97.6 t -84.09 118.23 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.458 -0.337 . . . . 71.24 110.234 178.152 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.12 -36.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.275 0.56 . . . . 63.24 110.271 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -161.33 155.56 22.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.058 -0.719 . . . . 72.12 109.058 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.539 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -69.12 -132.0 0.06 OUTLIER Glycine 0 C--N 1.334 0.441 0 O-C-N 123.382 0.426 . . . . 64.42 113.274 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.592 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.22 97.56 11.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.042 1.401 . . . . 75.21 110.95 -173.837 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.47 152.85 37.44 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 113.249 -1.796 . . . . 74.23 109.14 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 m -46.34 128.39 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.698 0.623 . . . . 75.44 111.585 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.754 ' HG2' ' HG ' ' A' ' 28' ' ' LEU . 4.8 tmm_? -58.79 -37.93 77.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.526 -0.761 . . . . 64.14 110.853 -172.678 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.66 89.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 71.21 111.046 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.3 -33.05 75.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.366 -0.379 . . . . 72.52 111.15 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.438 ' CB ' HD11 ' A' ' 28' ' ' LEU . 67.0 m -66.61 -46.37 76.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.327 -0.397 . . . . 53.12 110.469 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.02 -45.15 87.39 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.357 -0.383 . . . . 71.2 110.207 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.51 -48.03 75.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 63.52 110.58 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -57.07 -51.8 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.64 . . . . 62.33 111.726 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.19 -39.52 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.703 -0.399 . . . . 74.32 111.355 -174.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.29 -30.66 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.432 -0.349 . . . . 74.35 111.472 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mttp . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.846 0.355 . . . . 75.4 111.332 176.416 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 53.33 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.2 p90 -119.42 145.51 46.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.7 0.286 . . . . 61.53 110.832 -176.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.7 m-85 -119.79 157.03 29.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.309 178.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.32 102.12 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.344 -0.613 . . . . 72.22 109.344 174.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.4 tp -110.02 138.83 45.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.791 -0.641 . . . . 73.41 110.597 -173.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.613 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 93.3 t -108.7 140.39 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.883 -0.599 . . . . 65.21 109.593 173.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 26.8 t-20 -103.76 159.63 15.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.095 -0.502 . . . . 61.42 110.207 -177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.64 -45.65 48.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 75.41 112.167 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -114.09 -7.11 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.612 0.597 . . . . 75.54 112.612 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 11.4 t70 -111.05 151.97 27.42 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.236 -0.585 . . . . 72.21 110.844 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -72.54 -52.28 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 74.12 112.163 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -157.35 139.03 14.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.99 0.424 . . . . 71.22 111.798 -173.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 m -147.3 132.23 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.096 -0.502 . . . . 70.05 110.287 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.6 mm? -82.36 111.37 18.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.176 -0.676 . . . . 62.1 109.176 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -107.36 116.07 58.6 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.895 -0.593 . . . . 74.32 110.558 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.05 139.22 38.7 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.683 2.256 . . . . 73.54 112.106 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.68 -2.57 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.235 0.541 . . . . 74.32 110.48 177.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -64.83 -25.84 68.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.455 -0.793 . . . . 63.22 109.977 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.04 158.03 19.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.562 . . . . 74.2 110.073 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.66 143.49 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 73.54 111.206 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.35 115.33 57.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 72.42 109.535 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.65 -105.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.911 2.407 . . . . 52.44 113.802 -171.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.77 161.55 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.122 -0.325 . . . . 62.32 110.122 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.93 29.65 72.45 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.966 -0.854 . . . . 71.31 110.966 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TRP . . . . . 0.546 ' HB2' HD11 ' A' ' 19' ' ' LEU . 65.6 p-90 -105.97 148.05 28.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.103 -0.549 . . . . 75.23 111.082 -175.126 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.613 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 42.2 ttt-85 -135.45 114.22 11.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.836 -0.62 . . . . 71.53 109.445 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -86.81 113.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.76 0.314 . . . . 71.24 110.198 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -92.21 -33.66 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.511 . . . . 63.24 110.697 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -152.49 145.58 24.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.082 -0.508 . . . . 72.12 109.985 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.68 -151.53 16.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.865 -0.683 . . . . 64.42 112.601 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -88.98 98.02 11.53 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 122.886 1.327 . . . . 75.21 111.614 -173.236 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -135.49 166.32 23.46 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 112.842 -1.981 . . . . 74.23 108.333 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m -31.48 127.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.343 1.027 . . . . 75.44 113.086 -173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ARG . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.3 tmm_? -64.04 -37.17 86.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.543 -0.753 . . . . 64.14 110.712 -173.595 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.36 84.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.599 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.54 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.539 . . . . 72.52 110.676 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' LEU . 72.8 m -62.53 -50.99 69.18 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.096 -0.502 . . . . 53.12 110.937 177.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 6.8 mp -54.73 -49.43 70.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.029 -0.532 . . . . 71.2 111.238 176.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.2 -41.9 97.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 63.52 110.641 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.88 -45.65 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 62.33 110.668 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.26 -34.47 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.603 -0.439 . . . . 74.32 111.362 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 45.5 mt-10 -67.35 -29.5 69.06 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.682 0.253 . . . . 74.35 111.682 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mttp . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 113.249 0.833 . . . . 75.4 113.249 179.522 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 112.056 -0.418 . . . . 51.44 112.056 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -109.49 130.23 55.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.834 0.349 . . . . 75.52 110.636 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -106.08 7.27 31.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.362 0.601 . . . . 75.34 109.675 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.5 tpp -59.99 106.98 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.393 -0.821 . . . . 71.13 110.493 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -95.9 88.81 5.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.125 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.06 -32.27 26.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.944 -0.571 . . . . 73.13 111.438 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -117.82 99.25 52.13 Favored Pre-proline 0 C--N 1.326 -0.415 0 C-N-CA 120.663 -0.415 . . . . 71.44 110.62 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -94.34 -14.51 0.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.14 2.56 . . . . 72.03 111.976 173.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -110.85 99.09 8.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.904 -0.589 . . . . 74.45 110.142 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.23 -52.59 11.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.03 0.443 . . . . 73.42 109.85 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.45 144.31 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 71.44 109.197 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.13 119.23 24.74 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.917 0.389 . . . . 73.51 110.712 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -100.19 -66.39 0.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.391 0.515 . . . . 55.12 112.391 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.83 -137.35 4.66 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.187 -1.006 . . . . 51.13 113.357 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.46 167.39 7.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.032 0.444 . . . . 53.33 111.451 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.646 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -154.71 146.65 23.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.937 -0.574 . . . . 61.53 110.105 -175.744 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -120.71 158.16 28.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.261 -0.427 . . . . 73.11 110.307 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 66.5 t -90.41 98.8 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.787 -0.82 . . . . 72.22 108.787 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 39' ' ' TRP . 27.8 tp -113.48 128.3 56.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.672 -0.694 . . . . 73.41 110.495 -172.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 26' ' ' HIS . 47.0 t -129.12 130.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.668 -0.493 . . . . 65.21 109.668 176.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.546 ' ND2' ' HB2' ' A' ' 24' ' ' ASP . 10.3 p30 -105.09 173.16 6.42 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.564 -0.532 . . . . 61.42 109.564 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.21 -24.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.023 0.379 . . . . 75.41 112.023 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -101.79 10.79 39.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.707 0.262 . . . . 75.54 111.707 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.546 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.8 t70 -116.0 -174.35 2.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.2 -0.296 . . . . 72.21 110.2 -177.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.49 -50.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.718 -0.219 . . . . 74.12 110.787 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HA ' HG22 ' A' ' 20' ' ' VAL . 45.8 p-80 -165.65 127.79 2.02 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.388 . . . . 71.22 109.954 172.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -145.0 145.16 31.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.44 0.638 . . . . 70.05 111.957 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -98.54 116.03 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.396 -0.82 . . . . 62.1 109.084 172.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 66.8 t-105 -107.48 115.99 58.54 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.128 -175.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 23.5 Cg_exo -65.1 131.97 30.37 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.782 2.322 . . . . 73.54 112.526 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t -75.97 77.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 122.069 0.938 . . . . 74.32 109.432 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.53 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.254 -1.339 . . . . 63.22 108.014 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.86 163.75 13.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.097 -0.956 . . . . 74.2 109.153 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.27 143.56 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.907 0.384 . . . . 73.54 110.691 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.418 HG23 HD21 ' A' ' 19' ' ' LEU . 56.8 mt -87.0 124.73 68.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 72.42 109.926 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -106.21 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.864 2.376 . . . . 52.44 113.671 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.02 160.36 43.69 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 122.04 -0.412 . . . . 62.32 110.645 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.76 29.63 63.0 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.862 -0.685 . . . . 71.31 112.075 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.513 ' HB2' HD11 ' A' ' 19' ' ' LEU . 52.7 p-90 -110.05 174.69 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.416 0.627 . . . . 75.23 111.99 -174.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -153.5 127.97 9.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.028 -0.987 . . . . 71.53 109.378 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.59 118.96 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.875 0.369 . . . . 71.24 110.205 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.15 -26.55 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.218 -0.446 . . . . 63.24 110.503 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . 66.0 t60 -165.1 144.84 6.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 72.12 109.914 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.35 -164.49 40.2 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.788 -0.72 . . . . 64.42 112.996 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 1.1 pp20? -74.18 98.72 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.201 1.0 . . . . 75.21 111.726 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.646 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -134.44 166.04 23.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.434 -1.257 . . . . 74.23 108.268 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -30.89 128.31 0.14 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.495 0.924 . . . . 75.44 113.495 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 9.5 tpt180 -54.33 -46.89 72.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.498 -0.774 . . . . 64.14 111.285 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.01 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 71.21 110.931 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.56 -39.49 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.587 . . . . 72.52 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.533 ' HB3' HD11 ' A' ' 28' ' ' LEU . 71.4 m -68.5 -44.43 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 53.12 110.765 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.82 -46.24 90.36 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 110.175 -0.306 . . . . 71.2 110.175 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.653 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 25.9 t70 -55.79 -53.31 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 63.52 110.082 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' HE1' ' HG3' ' A' ' 65' ' ' LYS . 77.0 t80 -54.84 -50.96 67.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.29 -0.414 . . . . 62.33 111.939 -178.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 m -65.71 -37.57 80.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.857 -0.337 . . . . 74.32 111.398 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.47 -34.34 67.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.356 -0.384 . . . . 74.35 110.722 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.653 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 20.5 mtpp -58.68 -49.19 78.46 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 109.793 -0.447 . . . . 75.4 109.793 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -68.02 -31.5 71.22 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.165 -0.471 . . . . 73.12 111.105 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -69.35 -29.53 67.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.157 0.503 . . . . 74.44 110.122 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.1 m -86.87 -48.9 7.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.661 -0.699 . . . . 72.14 110.527 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -121.01 112.92 19.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.38 -0.827 . . . . 35.34 109.712 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 3.5 mm? -76.37 76.21 3.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 71.54 111.036 -174.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 25.3 mtp180 -147.74 93.53 4.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.613 -0.722 . . . . 73.24 109.811 176.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.67 142.77 54.07 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.764 2.309 . . . . 50.3 111.908 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' A' ' 65' ' ' LYS . 27.3 mtpp -83.18 76.67 9.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.793 0.33 . . . . 73.1 111.157 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t 65.18 100.66 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.188 -0.914 . . . . 53.54 111.598 176.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 pp -92.31 -14.43 28.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.37 0.605 . . . . 63.32 109.763 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -97.98 149.02 22.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.402 -0.817 . . . . 73.4 109.412 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.1 72.17 0.53 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.733 0.778 . . . . 51.34 110.568 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.1 -19.82 1.72 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.269 -0.878 . . . . 74.14 110.339 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -143.76 143.95 31.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.554 -0.748 . . . . 51.33 109.259 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.5 102.36 13.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.053 0.454 . . . . 74.04 111.0 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -79.15 80.85 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.856 0.836 . . . . 71.22 109.881 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 C--O 1.246 0.869 0 CA-C-N 115.299 -0.864 . . . . 62.35 109.639 -175.154 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 110.835 -0.906 . . . . 51.44 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -92.75 21.47 5.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.853 0.686 . . . . 75.52 112.853 -170.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -93.1 110.55 22.04 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.048 -0.723 . . . . 75.34 109.048 172.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.94 68.53 9.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.624 0.726 . . . . 71.13 111.427 -175.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -156.55 114.15 3.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.445 -0.798 . . . . 73.33 109.685 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.3 p -73.54 110.19 7.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.566 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.443 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 3.1 m-20 -59.82 115.98 15.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.633 -0.712 . . . . 71.44 111.792 -175.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 9' ' ' PHE . 4.6 Cg_endo -87.53 0.62 7.23 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.162 2.574 . . . . 72.03 111.727 175.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' CD2' ' HD2' ' A' ' 8' ' ' PRO . 42.0 p90 -132.64 162.8 30.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.923 -0.581 . . . . 74.45 110.353 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -81.2 162.31 23.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.13 -0.486 . . . . 73.42 110.408 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -83.01 81.15 8.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.899 0.857 . . . . 71.44 110.651 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.44 101.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.457 -0.792 . . . . 73.51 109.166 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -120.53 164.13 16.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 55.12 111.309 -170.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.29 -156.83 52.95 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.402 -0.817 . . . . 51.13 112.264 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.63 174.95 6.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.909 -0.404 . . . . 53.33 109.909 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -139.5 145.68 39.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.846 -0.427 . . . . 61.53 109.846 177.165 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -110.22 157.56 19.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.712 0.292 . . . . 73.11 110.737 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG12 ' HB ' ' A' ' 42' ' ' VAL . 17.4 t -88.12 97.51 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.136 -0.69 . . . . 72.22 109.136 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 39' ' ' TRP . 15.7 tp -114.73 164.73 13.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.196 -0.456 . . . . 73.41 109.838 -173.422 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.24 130.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 120.838 0.352 . . . . 65.21 110.059 170.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.02 151.23 21.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 61.42 110.076 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -50.69 -38.19 45.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 75.41 112.246 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -101.81 5.49 41.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.808 0.299 . . . . 75.54 111.808 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -117.95 160.7 21.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 72.21 111.174 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -80.06 -45.01 19.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.273 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -165.68 127.94 2.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.778 0.323 . . . . 71.22 110.855 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -120.67 116.05 24.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 70.05 111.612 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 102.28 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.29 0.567 . . . . 62.1 109.631 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -107.41 120.14 48.53 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 74.32 110.615 -171.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.52 134.3 40.75 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.093 2.528 . . . . 73.54 112.65 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.58 76.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.495 -0.775 . . . . 74.32 109.239 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -159.17 -36.48 0.06 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.987 -1.006 . . . . 63.22 109.489 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.53 163.57 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 74.2 109.853 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.91 143.3 55.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 73.54 110.871 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.7 mt -79.68 123.29 84.09 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.034 -0.358 . . . . 72.42 110.034 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 -155.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.21 2.606 . . . . 52.44 112.258 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.43 173.83 6.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.089 -0.337 . . . . 62.32 110.089 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.26 29.97 69.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 71.31 112.039 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.548 ' HB2' HD11 ' A' ' 19' ' ' LEU . 59.5 p-90 -108.53 147.61 31.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.189 0.519 . . . . 75.23 111.798 -173.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 40' ' ' ARG . 38.6 ttt180 -135.63 129.16 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.803 -0.814 . . . . 71.53 108.803 167.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.56 119.0 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.881 0.372 . . . . 71.24 110.059 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' HB ' HG12 ' A' ' 18' ' ' VAL . 40.3 t -83.6 -41.76 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.919 -0.582 . . . . 63.24 109.685 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.61 169.2 20.55 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.757 -0.656 . . . . 72.12 109.887 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' HA2' ' CE2' ' A' ' 17' ' ' PHE . . . -80.27 -141.63 2.73 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.932 -0.652 . . . . 64.42 113.099 -175.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -88.44 98.08 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.068 0.937 . . . . 75.21 110.392 -178.374 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.529 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.65 166.0 15.58 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.841 -1.527 . . . . 74.23 109.429 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 7.7 m -44.76 128.53 6.82 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.485 0.49 . . . . 75.44 111.227 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -54.66 -54.05 46.81 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.155 -0.475 . . . . 64.14 111.46 -173.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.41 77.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 71.21 111.028 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 47' ' ' SER . . . -69.64 -35.25 75.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 72.52 110.954 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 18' ' ' VAL . 64.5 m -64.23 -51.09 65.34 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.108 -0.331 . . . . 53.12 110.108 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 96.4 mt -55.66 -47.68 76.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.806 -0.634 . . . . 71.2 110.195 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.51 -52.96 61.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.255 -0.884 . . . . 63.52 110.988 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -58.27 -51.27 70.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.814 -0.63 . . . . 62.33 111.809 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 51' ' ' CYS . 28.8 m -66.08 -41.35 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.68 -0.408 . . . . 74.32 111.659 -174.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 18.5 mt-10 -72.64 -31.23 64.95 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.812 -0.355 . . . . 74.35 111.562 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.946 ' HE3' ' HA ' ' A' ' 69' ' ' ASP . 42.0 mttp -67.89 -25.99 65.78 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.765 0.283 . . . . 75.4 111.765 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -69.4 -30.16 68.07 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.805 -0.443 . . . . 73.12 109.805 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.7 t90 53.09 89.82 0.03 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.015 -0.993 . . . . 74.44 112.748 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.5 t -112.73 -3.64 14.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.963 0.887 . . . . 72.14 108.938 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -97.89 -157.21 0.58 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.61 -1.177 . . . . 35.34 110.719 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 mp -126.81 13.72 7.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.395 -0.366 . . . . 71.54 110.701 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.8 ttm105 -96.52 117.5 66.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 73.24 110.289 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -89.24 100.16 0.35 Allowed 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.657 2.238 . . . . 50.3 112.743 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -125.45 131.08 52.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.883 -0.784 . . . . 73.1 108.883 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.537 ' HA ' ' OD1' ' A' ' 69' ' ' ASP . 66.0 m -150.14 121.24 7.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.386 0.612 . . . . 53.54 111.948 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.765 ' HG ' ' H ' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -122.26 -65.3 1.12 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.329 -0.85 . . . . 63.32 109.623 174.86 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.765 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 1.5 mpp_? -130.42 40.37 3.53 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.933 -0.765 . . . . 73.4 108.933 173.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.946 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 7.8 m-20 -84.72 89.51 7.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.602 -0.726 . . . . 51.34 111.672 -172.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.38 126.38 44.91 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.486 -0.779 . . . . 74.14 109.667 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 98.8 mmm -80.54 123.44 28.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.384 -0.371 . . . . 51.33 110.001 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.5 t -71.45 112.97 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 74.04 111.066 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -138.36 103.23 4.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.968 -0.56 . . . . 71.22 109.689 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.079 -0.962 . . . . 62.35 109.855 -178.34 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.98 -0.448 . . . . 51.44 111.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -66.69 141.8 57.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.149 -0.315 . . . . 75.52 110.149 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -152.76 152.23 31.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.796 0.332 . . . . 75.34 110.973 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -105.58 -58.72 1.86 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.851 -0.796 . . . . 71.13 108.851 171.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 p -81.91 -178.43 6.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.646 -0.707 . . . . 73.33 109.367 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -159.05 137.54 10.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.972 0.415 . . . . 73.13 110.669 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -120.55 121.55 29.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 71.44 109.803 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.98 -44.42 47.36 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.15 2.567 . . . . 72.03 113.498 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -132.58 118.54 19.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.369 0.605 . . . . 74.45 111.562 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.48 150.26 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.454 -0.794 . . . . 73.42 109.7 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.81 -16.71 22.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.021 0.378 . . . . 71.44 112.021 -176.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -88.44 -67.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.266 0.555 . . . . 73.51 110.035 -176.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -95.21 -5.46 43.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.705 -0.679 . . . . 55.12 110.436 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.34 83.44 1.07 Allowed Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.581 -0.818 . . . . 51.13 112.313 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' HB3' HG22 ' A' ' 31' ' ' VAL . . . -71.87 107.63 4.73 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.234 -0.654 . . . . 53.33 109.234 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.596 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -94.81 145.85 24.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 61.53 111.723 -172.641 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.608 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 2.2 m-85 -111.79 166.37 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.38 -0.827 . . . . 73.11 109.871 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -91.64 97.48 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.309 -0.626 . . . . 72.22 109.309 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 39' ' ' TRP . 29.4 tp -108.63 128.4 54.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.78 0.324 . . . . 73.41 110.612 -174.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -114.62 143.9 23.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.869 -0.789 . . . . 65.21 108.869 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.499 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 15.8 m120 -105.06 174.11 6.02 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.988 -0.375 . . . . 61.42 109.988 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.9 -36.01 42.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.216 0.532 . . . . 75.41 109.884 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -103.16 -6.59 22.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.687 -0.688 . . . . 75.54 111.73 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 18.8 t70 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.622 0.248 . . . . 72.21 110.699 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' HG3' ' HD1' ' A' ' 59' ' ' TRP . 81.0 mm-40 -80.19 -25.93 39.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.778 1.029 . . . . 74.12 113.778 -171.408 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.527 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . 19.2 p80 -165.69 131.82 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.084 0.772 . . . . 71.22 113.084 -173.545 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.2 m -141.02 121.89 14.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.442 -0.799 . . . . 70.05 110.201 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.34 93.51 9.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.663 -0.865 . . . . 62.1 108.663 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -107.7 125.83 31.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.316 -0.856 . . . . 74.32 111.045 -167.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.0 Cg_endo -73.81 141.11 29.98 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.644 2.229 . . . . 73.54 112.767 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.446 HG22 ' HB3' ' A' ' 15' ' ' ALA . 29.8 m -77.95 8.3 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.838 -0.619 . . . . 74.32 111.617 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -92.86 6.13 48.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.516 0.674 . . . . 63.22 109.329 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.63 163.78 27.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.346 -0.843 . . . . 74.2 109.893 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.0 143.55 49.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.865 0.364 . . . . 73.54 111.235 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -106.2 128.62 25.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.09 -0.504 . . . . 72.42 109.801 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.43 -152.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 123.371 2.714 . . . . 52.44 111.998 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.83 154.89 46.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.705 0.288 . . . . 62.32 110.387 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.5 29.7 5.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.887 -0.673 . . . . 71.31 111.682 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.524 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 31.4 p-90 -124.78 173.23 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.372 0.605 . . . . 75.23 112.465 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 5.1 mpt_? -137.69 114.44 10.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.836 -1.074 . . . . 71.53 109.465 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.456 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 81.0 t -83.33 116.13 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.47 -0.567 . . . . 71.24 109.47 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -81.04 -40.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 63.24 110.544 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -153.95 160.96 42.31 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.912 -0.585 . . . . 72.12 109.856 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -141.02 1.53 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.694 -0.765 . . . . 64.42 112.437 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.608 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -85.82 98.08 10.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.327 1.06 . . . . 75.21 110.652 -177.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.1 166.1 15.06 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.619 -1.628 . . . . 74.23 108.984 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -47.71 128.29 12.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 75.44 111.305 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 1.7 tmm_? -61.84 -37.07 83.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 64.14 111.169 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.83 75.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.342 -0.39 . . . . 71.21 110.974 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.06 98.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.86 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 80.7 m -64.26 -46.29 84.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 53.12 110.92 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 71.2 110.008 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.78 -48.48 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.853 -0.612 . . . . 63.52 110.469 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -61.03 -50.82 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 62.33 111.402 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 26' ' ' HIS . 33.2 m -66.13 -36.08 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.602 0.239 . . . . 74.32 111.615 -175.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -69.35 -40.84 77.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.123 0.487 . . . . 74.35 110.772 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -82.52 -15.21 53.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.188 -0.46 . . . . 75.4 111.779 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -78.01 -22.77 48.76 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.356 0.598 . . . . 73.12 109.466 169.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.425 ' HD1' ' HG3' ' A' ' 25' ' ' GLN . 69.3 t90 -77.98 -41.03 37.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.463 -0.79 . . . . 74.44 109.433 171.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -62.41 -60.85 2.97 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.97 -0.559 . . . . 72.14 109.946 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.24 88.71 4.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.728 -0.841 . . . . 35.34 108.728 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 62' ' ' LEU . 1.8 tm? -71.29 101.11 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.225 -0.898 . . . . 71.54 109.939 -174.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -142.81 100.95 5.45 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.522 -0.763 . . . . 73.24 109.753 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.43 97.36 0.69 Allowed 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.709 2.273 . . . . 50.3 112.224 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -89.97 90.87 8.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.499 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -95.58 104.33 16.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.985 -0.552 . . . . 53.54 110.205 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.7 tp -122.55 145.99 47.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.137 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -132.76 -40.03 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.913 0.387 . . . . 73.4 110.707 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -141.39 138.45 33.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.008 -0.542 . . . . 51.34 110.463 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.06 177.92 10.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.31 -0.405 . . . . 74.14 110.126 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -78.71 80.53 5.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.996 0.427 . . . . 51.33 109.906 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.7 m -99.65 161.39 3.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.94 -0.573 . . . . 74.04 109.903 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -104.97 100.24 9.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.851 -0.426 . . . . 71.22 109.851 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.429 -0.796 . . . . 62.35 110.242 -177.475 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 112.159 -0.376 . . . . 51.44 112.159 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -79.22 146.16 33.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.865 0.364 . . . . 75.52 110.269 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.12 138.59 53.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 75.34 110.281 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptp -151.82 163.06 40.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.953 -0.567 . . . . 71.13 109.726 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -85.06 69.85 10.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.498 . . . . 73.33 110.595 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.3 p -139.33 110.21 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.608 -0.723 . . . . 73.13 109.704 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -115.19 100.04 53.11 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.67 0.748 . . . . 71.44 112.01 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -95.12 18.63 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.33 2.687 . . . . 72.03 111.348 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -97.47 -159.42 0.73 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.559 -0.746 . . . . 74.45 111.455 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 11' ' ' ASP . 16.6 t70 -86.24 -171.4 3.54 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.863 -0.608 . . . . 73.42 110.046 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 25.9 t70 -61.48 129.07 39.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.031 0.443 . . . . 71.44 111.178 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -95.98 160.79 14.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.555 -0.748 . . . . 73.51 110.584 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -80.29 -12.16 59.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 55.12 111.444 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.78 -84.81 0.67 Allowed Glycine 0 CA--C 1.503 -0.674 0 C-N-CA 120.704 -0.76 . . . . 51.13 111.888 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.84 147.68 20.18 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.057 -0.572 . . . . 53.33 110.332 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -144.81 145.59 31.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 61.53 109.546 177.643 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -119.08 167.94 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.553 . . . . 73.11 111.029 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 73.8 t -96.59 101.54 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.29 -0.868 . . . . 72.22 109.391 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 39' ' ' TRP . 13.5 tp -101.05 128.41 47.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.565 -0.743 . . . . 73.41 109.896 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -129.13 143.63 40.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.358 -0.383 . . . . 65.21 109.98 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -123.3 172.76 8.4 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.696 -0.853 . . . . 61.42 108.696 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.06 -30.69 70.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.035 0.445 . . . . 75.41 110.585 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -112.93 9.41 18.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.677 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -115.71 128.79 56.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.776 -0.824 . . . . 72.21 108.776 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.94 -53.93 11.57 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.651 -0.42 . . . . 74.12 111.063 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.562 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 5.4 p-80 -167.26 127.97 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.734 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -131.8 131.78 43.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.028 0.442 . . . . 70.05 111.248 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.2 mm? -85.05 106.31 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.895 -0.78 . . . . 62.1 108.895 172.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -109.04 116.02 56.1 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.161 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 21.2 Cg_exo -64.67 141.98 75.01 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.65 2.233 . . . . 73.54 111.851 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 31' ' ' VAL . 16.5 t -79.25 13.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 122.178 0.99 . . . . 74.32 109.54 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -95.64 -9.15 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.914 -1.039 . . . . 63.22 109.314 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.07 163.64 14.46 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.483 -0.781 . . . . 74.2 110.81 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.22 143.66 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 73.54 111.956 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -117.31 120.41 33.46 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 72.42 109.438 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -85.04 -107.96 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.763 2.308 . . . . 52.44 113.353 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.84 166.75 28.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.105 -0.372 . . . . 62.32 110.627 -175.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.43 27.51 73.74 Favored Glycine 0 C--N 1.329 0.14 0 C-N-CA 120.794 -0.717 . . . . 71.31 111.934 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.57 ' HB2' HD11 ' A' ' 19' ' ' LEU . 38.2 p-90 -101.08 154.31 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.186 0.517 . . . . 75.23 111.449 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.534 ' HD2' ' C ' ' A' ' 39' ' ' TRP . 3.4 mpt_? -127.39 114.3 17.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.757 -0.656 . . . . 71.53 109.327 174.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.01 107.07 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.46 -0.571 . . . . 71.24 109.46 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -84.64 -29.17 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 63.24 110.903 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.516 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . 71.0 t60 -147.68 144.23 28.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.318 -0.401 . . . . 72.12 110.254 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.08 -158.64 29.85 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.083 -0.579 . . . . 64.42 112.815 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -80.7 98.35 7.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.256 1.027 . . . . 75.21 111.547 -176.307 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.578 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -146.21 166.15 27.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.76 -1.109 . . . . 74.23 108.209 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 m -31.36 127.8 0.18 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.418 1.074 . . . . 75.44 113.299 -168.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.527 ' NH1' HD11 ' A' ' 52' ' ' LEU . 2.3 tmm_? -62.91 -39.09 93.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.947 -1.024 . . . . 64.14 110.452 -173.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.291 -0.413 . . . . 71.21 111.179 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.35 87.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.225 0.536 . . . . 72.52 110.027 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.545 ' HB3' HD11 ' A' ' 28' ' ' LEU . 76.6 m -62.65 -42.29 99.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.647 -0.706 . . . . 53.12 110.344 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.527 HD11 ' NH1' ' A' ' 48' ' ' ARG . 79.5 mt -55.51 -47.88 75.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.563 -0.289 . . . . 71.2 110.815 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.47 -52.3 64.1 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.114 0.483 . . . . 63.52 110.231 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.27 -50.01 75.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.211 -0.904 . . . . 62.33 111.409 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.562 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 21.8 m -67.26 -36.66 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 111.948 0.351 . . . . 74.32 111.948 -175.11 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.94 -39.52 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 74.35 111.295 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -78.16 -15.28 58.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.328 -0.396 . . . . 75.4 111.378 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -96.48 15.12 22.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.305 -0.407 . . . . 73.12 111.509 179.118 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -20.62 65.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.791 0.329 . . . . 74.44 110.968 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.4 m -68.54 127.69 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 72.14 110.213 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -71.26 81.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.773 0.797 . . . . 35.34 111.788 -175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -113.0 107.93 16.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.684 -0.689 . . . . 71.54 109.149 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -81.08 115.06 53.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.089 0.471 . . . . 73.24 110.352 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -82.31 146.98 14.2 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.332 2.021 . . . . 50.3 112.139 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.06 97.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.74 -0.467 . . . . 73.1 109.74 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.9 m -81.18 83.51 6.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.5 . . . . 53.54 111.568 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tt -102.02 87.73 3.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.781 -0.822 . . . . 63.32 108.781 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -146.75 99.35 3.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.411 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.47 112.63 24.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.45 -0.574 . . . . 51.34 109.45 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.17 -63.64 1.42 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.387 -0.37 . . . . 74.14 111.186 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 mmt 54.06 79.63 0.13 Allowed 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.78 0.675 . . . . 51.33 110.272 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.3 157.41 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.836 -0.62 . . . . 74.04 111.409 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 70.17 84.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.183 0.927 . . . . 71.22 112.397 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.452 -0.785 . . . . 62.35 108.968 171.093 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.36 -0.696 . . . . 51.44 111.36 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -64.79 114.06 4.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.94 0.4 . . . . 75.52 110.992 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -76.22 131.49 39.34 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.816 -0.809 . . . . 75.34 108.816 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 82.4 mtp 61.29 77.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.25 -0.648 . . . . 71.13 109.25 -171.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -116.29 123.8 48.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.074 -0.512 . . . . 73.33 111.522 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.1 p -105.6 121.37 43.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.686 -0.688 . . . . 73.13 109.49 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.435 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . 32.3 m-80 -84.21 124.93 73.51 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.267 -0.424 . . . . 71.44 111.018 -174.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -65.74 -42.15 12.71 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.592 2.195 . . . . 72.03 112.415 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 7' ' ' ASN . 41.7 m-85 62.66 32.52 16.21 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.499 0.5 . . . . 74.45 111.453 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -117.94 -12.06 10.18 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.812 -0.355 . . . . 73.42 111.362 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -103.04 142.59 33.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.315 -0.402 . . . . 71.44 110.937 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -141.62 155.01 45.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.159 -1.052 . . . . 73.51 108.159 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -60.13 -33.82 72.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.984 0.421 . . . . 55.12 110.042 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.86 84.89 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.361 -0.836 . . . . 51.13 113.64 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 110.98 2.43 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.455 -0.572 . . . . 53.33 109.455 174.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.712 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -96.68 145.54 25.68 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.929 -0.578 . . . . 61.53 112.195 -170.762 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 3.5 m-85 -113.97 155.56 25.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.638 -0.71 . . . . 73.11 109.529 173.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 51' ' ' CYS . 41.9 t -82.37 97.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.43 -0.581 . . . . 72.22 109.43 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 39' ' ' TRP . 20.3 tp -105.65 128.09 53.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 73.41 110.356 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 94.9 t -108.94 137.83 39.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.31 -0.626 . . . . 65.21 109.31 173.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 1.139 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 43.0 m-80 -96.15 -173.36 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.143 -0.48 . . . . 61.42 109.875 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -76.92 -43.15 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.389 0.614 . . . . 75.41 109.842 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -114.02 17.32 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.324 -0.853 . . . . 75.54 111.497 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 1.139 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 6.7 t70 -120.22 147.08 45.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.444 -0.344 . . . . 72.21 110.636 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.51 -49.63 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 74.12 111.303 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -165.32 134.3 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.319 -0.4 . . . . 71.22 111.146 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.0 m -140.37 124.17 17.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.037 -0.529 . . . . 70.05 110.287 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.36 101.98 10.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.094 -0.706 . . . . 62.1 109.094 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -108.06 116.98 56.1 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.827 . . . . 74.32 110.687 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.712 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 15.4 Cg_exo -69.11 141.34 47.58 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.94 2.426 . . . . 73.54 112.81 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.79 2.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.761 -0.654 . . . . 74.32 111.509 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -76.26 -17.44 59.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.326 0.584 . . . . 63.22 109.779 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.73 148.1 37.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 74.2 110.495 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.16 142.89 57.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.258 -0.428 . . . . 73.54 111.08 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -94.94 119.39 66.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.856 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.9 -157.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.16 2.574 . . . . 52.44 112.205 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HA ' ' HD1' ' A' ' 39' ' ' TRP . . . -104.32 175.33 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.662 -0.496 . . . . 62.32 109.662 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.85 60.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.184 -1.008 . . . . 71.31 110.999 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HB2' HD11 ' A' ' 19' ' ' LEU . 64.5 p-90 -105.76 156.73 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.256 0.55 . . . . 75.23 111.833 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 20.0 tpt180 -142.84 114.07 7.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.299 -0.864 . . . . 71.53 109.116 174.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' CE3' ' A' ' 39' ' ' TRP . 76.9 t -92.39 114.18 28.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.92 0.391 . . . . 71.24 110.315 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.11 -35.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.062 -0.517 . . . . 63.24 110.91 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -159.33 148.82 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 72.12 110.2 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.8 -166.83 31.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.424 -0.417 . . . . 64.42 112.974 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 2.8 pt-20 -69.08 98.4 0.98 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.847 0.832 . . . . 75.21 111.919 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.67 166.36 24.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.402 -1.272 . . . . 74.23 108.294 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -35.71 128.27 0.64 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.779 0.675 . . . . 75.44 112.494 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.586 ' NH1' HD11 ' A' ' 52' ' ' LEU . 2.5 tmm_? -66.85 -41.66 87.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.774 -0.648 . . . . 64.14 110.765 -170.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.9 85.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.548 -0.296 . . . . 71.21 110.832 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.6 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.487 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' HG22 ' A' ' 18' ' ' VAL . 71.5 m -62.02 -49.02 77.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.216 -0.447 . . . . 53.12 110.695 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.586 HD11 ' NH1' ' A' ' 48' ' ' ARG . 94.8 mt -54.3 -50.52 67.14 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.826 174.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.23 -49.34 72.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.549 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.14 -51.58 68.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.535 -0.757 . . . . 62.33 111.411 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.46 -35.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.174 0.435 . . . . 74.32 112.174 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -72.21 -34.1 68.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.654 0.264 . . . . 74.35 111.25 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -80.46 -17.06 52.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.678 -0.237 . . . . 75.4 111.502 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -85.46 -23.2 27.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.871 0.367 . . . . 73.12 110.383 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -71.2 112.94 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 74.44 109.781 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 t -82.65 137.4 34.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.515 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.25 89.3 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.279 0.562 . . . . 35.34 110.706 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 62' ' ' LEU . 3.4 mm? -118.14 -42.56 2.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.7 -0.682 . . . . 71.54 110.094 173.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -77.19 128.03 81.84 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.876 -0.602 . . . . 73.24 109.409 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.32 106.23 0.39 Allowed 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.512 2.141 . . . . 50.3 112.122 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -77.82 146.99 35.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 73.1 110.459 178.229 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -98.78 151.68 20.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.166 -0.47 . . . . 53.54 110.529 -174.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp -101.98 112.05 24.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.266 -0.425 . . . . 63.32 110.9 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -122.93 99.61 6.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.907 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.31 136.81 52.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.932 -0.576 . . . . 51.34 110.226 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.79 17.41 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.377 . . . . 74.14 111.382 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.6 tpp -123.48 87.51 2.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.239 0.542 . . . . 51.33 110.637 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.64 108.68 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.775 -0.648 . . . . 74.04 109.767 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -117.98 168.04 10.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.37 -0.377 . . . . 71.22 110.345 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 119.288 -0.387 . . . . 62.35 110.359 179.111 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 111.693 -0.563 . . . . 51.44 111.693 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -75.2 114.48 13.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.76 0.314 . . . . 75.52 110.664 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -71.87 132.84 44.96 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.354 -0.61 . . . . 75.34 109.354 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -124.31 145.03 49.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.244 0.545 . . . . 71.13 110.925 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m -146.62 80.95 1.56 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.955 -0.758 . . . . 73.33 108.955 174.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.428 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.4 m -76.24 100.06 4.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.918 -0.583 . . . . 73.13 110.215 -176.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -111.06 99.86 44.64 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.98 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 6' ' ' THR . 4.8 Cg_exo -78.63 -4.17 13.88 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.818 2.345 . . . . 72.03 110.946 174.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -133.24 158.92 41.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.063 -0.971 . . . . 74.45 109.36 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -100.29 139.24 36.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.892 0.377 . . . . 73.42 110.011 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -112.33 -161.28 0.75 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.54 -0.541 . . . . 71.44 109.54 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.83 151.18 21.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.739 0.304 . . . . 73.51 110.212 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -89.8 143.89 26.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.247 -0.433 . . . . 55.12 110.623 -175.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.53 177.24 54.15 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.889 -0.672 . . . . 51.13 112.331 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.53 147.39 52.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 53.33 111.123 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -128.0 145.7 50.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.657 . . . . 61.53 109.875 -177.282 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.464 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.85 158.62 25.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.47 -0.332 . . . . 73.11 110.826 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -84.22 100.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.167 -0.679 . . . . 72.22 109.167 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 39' ' ' TRP . 13.6 tp -111.55 128.23 55.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.324 -0.398 . . . . 73.41 110.425 -171.136 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.75 130.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.292 -0.633 . . . . 65.21 109.292 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 49.2 m-80 -89.6 153.72 20.54 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.124 -0.695 . . . . 61.42 109.124 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.66 -25.81 68.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.904 0.383 . . . . 75.41 110.686 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -114.11 25.63 10.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 75.54 111.459 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 21' ' ' ASN . 14.6 t70 -137.13 160.84 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.159 -0.312 . . . . 72.21 110.159 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -83.07 -50.52 8.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 74.12 111.176 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.567 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -166.02 143.45 5.44 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.647 -0.251 . . . . 71.22 111.165 -176.736 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -147.82 149.68 32.77 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.528 0.68 . . . . 70.05 111.644 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.69 110.61 20.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.782 -0.821 . . . . 62.1 108.782 174.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' HG12 ' A' ' 35' ' ' ILE . 74.5 t-105 -117.82 121.59 31.53 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.549 -0.296 . . . . 74.32 111.283 -171.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 68.6 Cg_endo -75.43 134.25 16.9 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.564 2.176 . . . . 73.54 111.766 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.62 9.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.462 . . . . 74.32 112.02 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -75.34 -29.2 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.019 -0.734 . . . . 63.22 109.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.22 144.91 30.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 74.2 109.744 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.16 130.03 41.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.455 . . . . 73.54 111.437 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 29' ' ' TRP . 29.8 mt -74.37 129.03 84.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.784 -0.644 . . . . 72.42 109.827 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.99 -101.5 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.856 2.371 . . . . 52.44 114.061 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.58 160.28 43.92 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.489 -0.132 . . . . 62.32 110.756 -174.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.73 29.99 66.76 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.089 -0.577 . . . . 71.31 111.969 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' A' ' 19' ' ' LEU . 42.1 p-90 -104.11 139.01 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.582 0.706 . . . . 75.23 112.359 -173.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -119.63 114.91 22.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.894 -1.048 . . . . 71.53 109.559 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.85 110.67 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.683 -0.488 . . . . 71.24 109.683 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.44 -39.07 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.267 0.556 . . . . 63.24 109.603 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -155.13 154.87 33.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.261 -0.881 . . . . 72.12 109.385 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.464 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -80.43 -132.78 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 O-C-N 123.641 0.588 . . . . 64.42 112.918 -176.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -92.75 97.74 10.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.688 1.232 . . . . 75.21 110.562 -177.259 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -118.4 166.32 12.81 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 113.121 -1.854 . . . . 74.23 109.205 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -43.66 129.75 5.41 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.485 0.491 . . . . 75.44 111.544 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.3 tmm_? -54.08 -47.16 72.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.024 -0.534 . . . . 64.14 110.828 -175.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.51 96.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.509 -0.314 . . . . 71.21 110.61 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.23 86.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 72.52 111.045 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -66.59 -45.56 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 53.12 111.099 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.525 HD23 ' HD2' ' A' ' 48' ' ' ARG . 4.5 mm? -64.98 -42.79 94.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.879 0.371 . . . . 71.2 110.312 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.83 -46.41 81.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.401 0.62 . . . . 63.52 110.04 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.77 -51.35 70.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.939 -1.028 . . . . 62.33 111.304 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.6 m -69.76 -37.3 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.791 0.293 . . . . 74.32 111.791 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.16 -36.75 69.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.624 0.25 . . . . 74.35 111.6 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -77.35 -15.26 59.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.591 0.234 . . . . 75.4 111.531 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -87.46 -46.55 9.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.486 -0.324 . . . . 73.12 110.877 174.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -130.9 104.71 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.145 0.498 . . . . 74.44 111.674 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -139.65 152.56 46.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.56 -0.746 . . . . 72.14 109.118 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -94.32 -13.19 26.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.267 0.556 . . . . 35.34 110.319 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.55 160.67 15.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.788 -0.642 . . . . 71.54 110.201 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' C ' ' HD3' ' A' ' 63' ' ' ARG . 2.6 tmt_? -131.7 88.34 42.88 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.825 0.345 . . . . 73.24 110.19 176.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -96.15 167.26 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.191 2.594 . . . . 50.3 111.186 170.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -86.61 72.2 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.826 0.822 . . . . 73.1 110.231 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.4 t -90.15 105.36 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.269 -0.878 . . . . 53.54 110.449 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.1 160.21 14.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.168 -0.469 . . . . 63.32 109.979 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.4 -179.43 4.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.409 -0.589 . . . . 73.4 109.409 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.13 101.14 1.38 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.63 -0.507 . . . . 51.34 109.63 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.72 106.63 18.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 74.14 111.508 -174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -141.82 151.52 42.85 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.607 -0.886 . . . . 51.33 108.607 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.96 133.45 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.112 0.482 . . . . 74.04 110.702 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -105.73 169.69 8.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.832 -0.622 . . . . 71.22 110.133 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.745 -0.645 . . . . 62.35 110.714 -179.252 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.996 -0.441 . . . . 51.44 111.996 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -93.04 111.64 23.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.954 0.406 . . . . 75.52 110.548 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -149.0 104.32 3.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.863 -0.608 . . . . 75.34 109.584 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -80.45 100.45 8.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.883 -0.598 . . . . 71.13 110.411 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -65.31 -34.55 78.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.87 -0.605 . . . . 73.33 109.847 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 m -78.73 93.09 4.87 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.461 -0.79 . . . . 73.13 109.786 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.46 ' HB3' ' HD2' ' A' ' 9' ' ' PHE . 85.7 m-20 -69.71 121.05 81.24 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.831 -0.622 . . . . 71.44 110.664 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -80.79 27.03 0.58 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.92 2.413 . . . . 72.03 112.054 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HD2' ' HB3' ' A' ' 7' ' ' ASN . 68.5 m-85 -105.79 106.9 17.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.862 -0.608 . . . . 74.45 110.448 -177.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -115.59 120.16 38.52 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.939 -0.393 . . . . 73.42 109.939 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.86 175.18 5.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.113 -0.494 . . . . 71.44 110.52 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -127.25 23.01 6.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 73.51 111.415 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.6 p-10 -157.36 -157.67 0.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.877 0.37 . . . . 55.12 111.385 -172.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.581 ' HA2' ' HB2' ' A' ' 32' ' ' PHE . . . -93.05 93.33 1.74 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.427 -0.892 . . . . 51.13 112.117 175.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . -72.71 136.18 45.51 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.956 -0.387 . . . . 53.33 109.956 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.493 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -99.52 145.77 27.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 61.53 112.219 -174.119 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.906 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -120.67 155.92 32.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.294 -0.866 . . . . 73.11 110.018 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 43' ' ' HIS . 66.2 t -87.03 98.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.703 -0.481 . . . . 72.22 109.703 175.348 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.1 tp -106.0 129.9 54.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.79 -0.641 . . . . 73.41 110.237 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -109.09 135.05 49.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.845 0.355 . . . . 65.21 110.325 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.614 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . 28.6 t-20 -104.33 162.76 12.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.608 -0.886 . . . . 61.42 108.608 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -56.36 -46.12 80.16 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.297 0.48 . . . . 75.41 112.297 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -114.55 25.52 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.805 0.298 . . . . 75.54 111.805 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.614 ' CB ' ' HB3' ' A' ' 21' ' ' ASN . 37.7 t70 -111.26 155.54 22.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.865 0.364 . . . . 72.21 111.615 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.04 -50.49 7.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.986 -0.552 . . . . 74.12 112.009 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -165.85 128.11 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.858 0.361 . . . . 71.22 110.911 175.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -123.37 104.77 9.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.152 -0.476 . . . . 70.05 110.684 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.07 97.91 7.75 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.903 -0.777 . . . . 62.1 108.903 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 76.3 t-105 -107.56 126.54 29.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.815 -0.63 . . . . 74.32 110.787 -169.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.4 Cg_exo -68.26 131.93 24.64 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.752 2.301 . . . . 73.54 112.542 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.89 -4.26 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 74.32 111.098 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . 73.8 t80 -75.67 -20.93 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.755 -0.657 . . . . 63.22 109.402 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.28 162.8 12.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 74.2 110.169 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.45 121.12 17.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.242 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -83.73 120.75 75.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.212 -0.449 . . . . 72.42 109.946 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.49 -153.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.376 2.717 . . . . 52.44 112.178 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.62 155.8 24.83 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 110.339 -0.245 . . . . 62.32 110.339 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.33 29.99 8.04 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.729 -0.748 . . . . 71.31 111.597 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' A' ' 19' ' ' LEU . 67.9 p-90 -121.72 160.77 23.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.09 0.472 . . . . 75.23 111.496 -173.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 40' ' ' ARG . 4.0 mmt180 -146.02 124.76 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 71.53 110.145 171.249 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.471 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 70.5 t -88.63 124.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 71.24 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.34 -36.37 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.033 0.444 . . . . 63.24 110.879 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.863 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 44.8 t-80 -145.44 144.52 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.512 . . . . 72.12 110.245 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.76 -157.95 14.45 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 121.061 -0.59 . . . . 64.42 113.345 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.906 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.61 99.41 9.54 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 122.569 1.176 . . . . 75.21 111.266 -176.215 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB3' ' HE1' ' A' ' 43' ' ' HIS . . . -144.35 166.09 26.07 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.457 -1.701 . . . . 74.23 108.843 173.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -31.41 128.19 0.17 Allowed 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.445 1.091 . . . . 75.44 113.484 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -55.98 -48.04 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.977 -1.011 . . . . 64.14 110.692 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 71.21 111.074 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.76 92.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 72.52 111.092 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.18 -51.18 68.86 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.452 -0.34 . . . . 53.12 110.972 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 52' ' ' LEU . 4.1 mm? -57.57 -46.98 83.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 71.2 111.239 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.63 -47.92 83.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.527 -0.306 . . . . 63.52 110.914 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.14 -51.63 68.92 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.279 -0.419 . . . . 62.33 111.49 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.61 -38.18 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.628 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -72.81 -29.94 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.926 -0.31 . . . . 74.35 111.64 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -73.43 -39.54 64.93 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.189 -0.204 . . . . 75.4 111.034 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -70.8 -35.76 72.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.038 0.447 . . . . 73.12 109.821 176.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.3 t90 62.98 83.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.743 -1.117 . . . . 74.44 110.461 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.5 m -73.05 89.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.216 -0.902 . . . . 72.14 110.509 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -112.42 114.91 27.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 35.34 111.227 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.18 8.47 30.06 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.898 -0.779 . . . . 71.54 108.898 171.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.59 85.26 0.19 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 114.598 -1.183 . . . . 73.24 110.668 -175.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.36 130.32 22.22 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.835 2.357 . . . . 50.3 112.192 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -161.35 95.75 1.04 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.458 -0.571 . . . . 73.1 109.458 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.9 m -63.06 95.37 0.08 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.446 0.641 . . . . 53.54 110.389 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -173.35 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.693 -1.225 . . . . 63.32 107.693 -173.652 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.612 ' NE ' ' HA ' ' A' ' 68' ' ' ARG . 1.2 mmp_? -88.41 12.77 13.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.881 -1.054 . . . . 73.4 111.114 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.49 116.39 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 51.34 110.173 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.41 93.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 74.14 110.396 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -86.45 94.71 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.455 0.645 . . . . 51.33 110.565 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.1 m -109.76 154.16 11.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.395 -0.82 . . . . 74.04 109.627 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -80.59 -53.4 6.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.936 0.398 . . . . 71.22 110.665 -175.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.733 -0.651 . . . . 62.35 109.929 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.53 -0.628 . . . . 51.44 111.53 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -70.93 90.65 0.82 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.334 0.588 . . . . 75.52 111.0 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -78.82 138.2 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.809 -0.632 . . . . 75.34 109.757 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.3 ptm -142.32 164.54 29.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.174 0.511 . . . . 71.13 111.374 -175.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -132.91 138.2 46.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.246 -0.888 . . . . 73.33 109.046 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -96.33 133.99 40.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.646 0.26 . . . . 73.13 110.376 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -82.19 136.17 46.91 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.573 -0.529 . . . . 71.44 109.573 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -79.78 23.44 0.67 Allowed 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.873 2.382 . . . . 72.03 113.387 -173.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -82.44 138.79 34.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.938 0.399 . . . . 74.45 110.274 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -91.98 9.46 33.05 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.01 -0.541 . . . . 73.42 110.099 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -73.97 78.42 1.67 Allowed 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.243 -0.651 . . . . 71.44 109.243 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -86.6 95.32 9.72 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.671 -0.695 . . . . 73.51 110.76 -174.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -160.04 101.64 1.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.76 -0.654 . . . . 55.12 110.544 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.25 82.91 0.05 OUTLIER Glycine 0 CA--C 1.505 -0.548 0 C-N-CA 120.849 -0.691 . . . . 51.13 112.081 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.04 119.61 39.44 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.418 0.627 . . . . 53.33 111.087 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.631 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -132.86 145.64 51.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.943 -1.026 . . . . 61.53 109.298 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.509 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.0 m-85 -114.98 165.4 12.92 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.018 0.437 . . . . 73.11 111.013 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.69 97.7 7.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 N-CA-C 109.005 -0.739 . . . . 72.22 109.005 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 39' ' ' TRP . 21.0 tp -107.67 129.11 55.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.606 -0.724 . . . . 73.41 110.724 -173.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -114.76 134.27 58.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 65.21 110.102 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.745 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.7 t-20 -111.03 156.09 21.79 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 61.42 108.462 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.49 -38.92 72.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 75.41 111.355 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -109.97 21.07 17.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 75.54 111.422 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.745 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 18.2 t70 -134.09 132.65 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.497 -0.556 . . . . 72.21 109.497 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.64 -53.51 22.03 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 74.12 111.599 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -166.76 128.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.819 -0.173 . . . . 71.22 110.943 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -128.86 135.25 48.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 70.05 111.726 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 51' ' ' CYS . 2.8 mm? -84.03 101.5 11.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.725 -0.842 . . . . 62.1 108.725 170.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -107.69 116.86 56.84 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.705 -0.68 . . . . 74.32 110.681 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.631 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.7 Cg_endo -73.39 155.31 50.95 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.581 2.187 . . . . 73.54 112.31 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.38 -0.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.952 0.406 . . . . 74.32 111.562 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -101.03 24.95 8.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.779 0.799 . . . . 63.22 109.313 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.98 127.99 29.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.5 -0.773 . . . . 74.2 110.113 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -62.57 122.24 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.344 0.592 . . . . 73.54 110.941 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mt -77.01 128.71 80.58 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 72.42 110.722 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.47 -154.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.322 2.682 . . . . 52.44 112.289 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.24 166.5 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.494 0.188 . . . . 62.32 110.563 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 29.49 56.68 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.639 -0.791 . . . . 71.31 111.907 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.0 p-90 -109.66 151.81 26.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.846 0.355 . . . . 75.23 111.686 -174.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . 10.2 mmt180 -144.66 128.83 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.755 -0.657 . . . . 71.53 110.208 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.13 115.55 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.017 -0.538 . . . . 71.24 110.644 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.44 -25.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.076 0.465 . . . . 63.24 110.296 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -157.71 143.46 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.135 -178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.75 -153.33 10.93 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.848 -0.691 . . . . 64.42 112.167 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.27 98.17 9.27 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.642 1.211 . . . . 75.21 111.259 -174.14 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.628 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.59 166.02 13.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.143 -1.844 . . . . 74.23 108.245 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -44.94 131.43 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.634 0.584 . . . . 75.44 111.179 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.2 tpp180 -51.47 -43.61 62.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 64.14 111.006 -176.752 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.22 89.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.258 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.05 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 72.52 110.861 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.497 ' HB3' HD11 ' A' ' 28' ' ' LEU . 80.5 m -64.73 -44.98 88.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.969 -0.56 . . . . 53.12 110.796 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 48' ' ' ARG . 95.4 mt -61.98 -44.45 96.72 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.828 0.347 . . . . 71.2 110.43 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.01 -46.72 82.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 63.52 110.11 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -62.62 -51.89 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 62.33 111.651 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.7 m -65.35 -40.96 90.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.655 0.264 . . . . 74.32 111.617 -174.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -72.77 -39.76 66.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.45 -0.341 . . . . 74.35 111.769 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -74.86 -18.89 60.36 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.747 0.308 . . . . 75.4 111.467 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -83.11 -40.99 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.675 -0.491 . . . . 73.12 109.675 171.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 61.06 20.75 11.19 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.445 -0.798 . . . . 74.44 110.185 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.5 m 64.27 80.23 0.24 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.106 -0.952 . . . . 72.14 110.826 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -111.36 165.24 12.12 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.358 -0.837 . . . . 35.34 109.274 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.9 tp -81.29 87.17 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.662 0.744 . . . . 71.54 111.264 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' CB ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -94.33 170.2 8.6 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.119 -0.946 . . . . 73.24 109.05 172.094 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 63' ' ' ARG . 2.8 Cg_endo -42.07 134.93 4.1 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.204 2.603 . . . . 50.3 112.277 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 131.1 39.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.148 -178.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -80.63 88.09 5.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.209 -0.45 . . . . 53.54 111.469 -173.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.7 tm? -87.59 83.31 7.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.409 -0.96 . . . . 63.32 108.409 174.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -143.16 100.02 3.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.183 -0.917 . . . . 73.4 108.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -130.41 134.84 47.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.862 -0.608 . . . . 51.34 110.684 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.53 167.91 27.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.031 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 ttt -81.48 93.68 6.7 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.845 -0.428 . . . . 51.33 109.845 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.37 90.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.945 -0.57 . . . . 74.04 109.807 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -151.85 -163.33 1.72 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.998 -0.546 . . . . 71.22 110.605 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.121 -0.942 . . . . 62.35 110.891 -176.093 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 112.134 -0.386 . . . . 51.44 112.134 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -103.48 14.95 30.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.551 0.215 . . . . 75.52 110.992 -178.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.9 m80 59.45 33.28 22.23 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.728 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.8 ptm -105.14 139.94 39.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.933 -0.576 . . . . 71.13 110.925 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m -93.25 155.13 17.62 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.867 -0.606 . . . . 73.33 109.61 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.634 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 29.7 m -104.08 129.88 51.76 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.987 -0.375 . . . . 73.13 109.987 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.408 ' HB3' ' OD2' ' A' ' 10' ' ' ASP . 3.9 m-20 -102.32 99.26 12.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.607 0.241 . . . . 71.44 110.658 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.634 ' HD3' ' O ' ' A' ' 6' ' ' THR . 58.8 Cg_endo -99.59 -13.56 0.24 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 122.985 2.456 . . . . 72.03 112.135 173.373 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -130.74 104.5 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.891 -0.595 . . . . 74.45 110.594 -175.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 7' ' ' ASN . 3.9 m-20 -139.21 178.73 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.45 -0.574 . . . . 73.42 109.45 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -92.86 80.52 4.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.316 0.579 . . . . 71.44 109.876 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -111.83 6.0 19.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.215 -0.902 . . . . 73.51 111.249 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -81.84 85.04 6.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 55.12 111.029 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.58 -136.71 24.96 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.885 -0.598 . . . . 51.13 113.001 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.45 152.56 47.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.05 0.452 . . . . 53.33 110.998 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -139.75 147.16 40.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 61.53 110.029 -176.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.624 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -118.05 163.08 17.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.301 -0.409 . . . . 73.11 110.381 177.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.2 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.208 -0.664 . . . . 72.22 109.208 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.7 tp -105.94 128.23 53.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.682 -0.69 . . . . 73.41 109.845 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 26' ' ' HIS . 88.3 t -126.9 133.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.995 0.426 . . . . 65.21 111.313 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -104.46 150.39 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.519 -0.919 . . . . 61.42 108.519 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -68.19 -14.54 63.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.853 0.359 . . . . 75.41 111.191 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.62 17.35 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.104 -0.498 . . . . 75.54 110.182 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.37 -166.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.837 -0.801 . . . . 72.21 108.837 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.459 ' HG2' HD11 ' A' ' 62' ' ' LEU . 40.2 mt-30 -125.46 -53.47 1.59 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.214 -0.304 . . . . 74.12 110.419 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HA ' HG22 ' A' ' 20' ' ' VAL . 25.4 p80 -166.14 144.87 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.327 . . . . 71.22 110.476 173.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 m -148.79 127.16 12.24 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.401 -0.363 . . . . 70.05 110.321 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.72 109.09 17.78 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.057 -0.72 . . . . 62.1 109.057 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 77.3 t-105 -107.62 116.31 57.82 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.912 -171.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 15.0 Cg_exo -69.34 139.34 41.45 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.043 2.495 . . . . 73.54 111.827 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.15 -1.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.728 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -68.38 -33.09 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.217 0.532 . . . . 63.22 110.312 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.15 139.89 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 74.2 109.4 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.63 143.33 48.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.791 -0.364 . . . . 73.54 110.04 -176.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.413 HG23 HD21 ' A' ' 19' ' ' LEU . 56.6 mt -68.82 133.66 90.29 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.917 -0.583 . . . . 72.42 111.418 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.78 -163.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.023 2.482 . . . . 52.44 112.276 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.17 170.23 9.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.331 -0.395 . . . . 62.32 109.981 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.82 69.91 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.79 -0.719 . . . . 71.31 112.304 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HB2' HD11 ' A' ' 19' ' ' LEU . 60.0 p-90 -98.94 154.3 18.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.079 0.466 . . . . 75.23 112.024 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 3.0 tpt180 -149.42 126.14 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.923 -0.769 . . . . 71.53 108.923 170.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.73 116.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.693 0.282 . . . . 71.24 110.741 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -92.46 -29.53 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.179 0.514 . . . . 63.24 110.707 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -155.98 144.86 20.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.403 -0.591 . . . . 72.12 109.403 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.62 -148.74 9.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.595 -0.812 . . . . 64.42 112.446 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.624 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -83.85 98.21 9.62 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 122.403 1.097 . . . . 75.21 111.297 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.562 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -129.89 160.25 34.12 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.499 -1.682 . . . . 74.23 108.365 172.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 m -39.29 128.4 1.79 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.806 0.691 . . . . 75.44 112.036 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.772 HH11 HD22 ' A' ' 52' ' ' LEU . 6.3 tmm_? -51.8 -48.33 63.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.701 -0.681 . . . . 64.14 110.993 -174.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.14 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.495 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.94 65.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 72.52 111.127 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.12 -46.62 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 53.12 110.386 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.772 HD22 HH11 ' A' ' 48' ' ' ARG . 9.4 mp -57.56 -46.94 83.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 71.2 110.298 173.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.59 -49.02 73.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.792 -0.64 . . . . 63.52 110.588 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.93 -51.52 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 62.33 111.606 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.07 -41.14 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.852 -0.339 . . . . 74.32 111.691 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 60' ' ' THR . 6.9 mm-40 -70.47 -38.89 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.589 -0.278 . . . . 74.35 111.695 -175.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -72.99 -18.62 61.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.672 0.272 . . . . 75.4 111.385 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' HB3' ' HE3' ' A' ' 59' ' ' TRP . 15.8 m-80 -94.12 -45.44 7.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.648 -0.251 . . . . 73.12 111.401 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.504 ' HE3' ' HB3' ' A' ' 58' ' ' ASN . 46.2 p90 -151.49 120.25 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.545 0.688 . . . . 74.44 111.177 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -106.19 -49.76 3.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.583 -0.735 . . . . 72.14 110.92 177.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -119.17 150.85 39.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.118 -0.492 . . . . 35.34 110.406 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.459 HD11 ' HG2' ' A' ' 25' ' ' GLN . 67.4 mt -92.65 34.81 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 71.54 111.846 -175.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.74 120.64 38.9 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 108.459 -0.941 . . . . 73.24 108.459 172.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -33.58 114.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.711 0 C-N-CA 124.301 3.334 . . . . 50.3 114.193 -173.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -105.75 -34.18 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.042 -0.981 . . . . 73.1 110.132 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.2 t -99.84 105.07 16.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.131 -0.692 . . . . 53.54 109.131 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.2 tp -81.97 82.23 7.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.23 0.538 . . . . 63.32 110.534 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -128.96 114.22 16.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.268 -0.878 . . . . 73.4 109.652 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -80.54 83.63 6.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.305 0.574 . . . . 51.34 110.021 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.19 92.45 1.71 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.364 -0.835 . . . . 74.14 110.04 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG3' ' HG3' ' A' ' 73' ' ' GLU . 13.2 tpt -87.94 104.7 16.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.958 0.409 . . . . 51.33 110.046 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.65 97.25 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.888 -0.596 . . . . 74.04 110.044 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HG3' ' HG3' ' A' ' 71' ' ' MET . 42.3 mt-10 -93.79 -174.79 3.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.812 -0.631 . . . . 71.22 110.173 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.608 -0.711 . . . . 62.35 109.974 179.473 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.702 -0.559 . . . . 51.44 111.702 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -64.14 105.22 0.84 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.808 0.337 . . . . 75.52 110.297 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.3 102.39 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.597 -0.52 . . . . 75.34 109.597 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -104.96 161.31 14.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.999 -0.546 . . . . 71.13 111.123 -174.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -149.23 87.74 1.54 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.688 -0.687 . . . . 73.33 109.797 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -61.65 -48.46 80.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.22 0.533 . . . . 73.13 110.494 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.561 ' HB2' ' HD2' ' A' ' 9' ' ' PHE . 8.8 p30 -120.43 135.69 24.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.672 -0.492 . . . . 71.44 109.672 174.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -89.51 10.09 3.27 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.684 2.256 . . . . 72.03 112.428 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.561 ' HD2' ' HB2' ' A' ' 7' ' ' ASN . 73.5 m-85 -84.36 -31.14 24.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.105 -0.498 . . . . 74.45 110.91 -175.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 20.5 t70 73.53 -52.74 0.7 Allowed 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.637 -0.711 . . . . 73.42 112.165 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.92 76.58 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.763 0.792 . . . . 71.44 110.647 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -102.22 97.21 7.53 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.486 -1.301 . . . . 73.51 107.486 172.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -124.27 170.0 11.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.349 -0.387 . . . . 55.12 110.797 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.38 -147.39 21.46 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.7 -0.56 . . . . 51.13 111.7 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.21 164.8 11.79 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.859 0.362 . . . . 53.33 110.304 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.659 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -146.3 145.74 30.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.868 -0.605 . . . . 61.53 109.374 -176.653 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.458 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.1 m-85 -121.37 157.47 30.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.834 0.349 . . . . 73.11 110.504 -178.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t -90.72 97.48 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.016 -0.735 . . . . 72.22 109.016 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.9 tp -100.22 137.77 38.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.314 -0.857 . . . . 73.41 110.17 -172.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -131.47 134.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.931 0.396 . . . . 65.21 110.52 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -117.99 152.59 35.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.736 -0.839 . . . . 61.42 108.736 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.85 -32.31 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 75.41 110.63 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.07 12.48 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.771 -0.649 . . . . 75.54 110.374 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -135.81 -166.71 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.818 -0.808 . . . . 72.21 108.818 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 26' ' ' HIS . 4.0 pt20 -129.39 -52.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.535 0.207 . . . . 74.12 110.659 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 49.7 m-70 -162.92 127.98 3.14 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.436 0.695 . . . . 71.22 109.231 -177.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 m -135.5 131.66 36.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.86 0.362 . . . . 70.05 110.914 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -84.73 102.34 12.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.877 -0.786 . . . . 62.1 108.877 171.821 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CD1' HG12 ' A' ' 35' ' ' ILE . 76.3 t-105 -107.65 115.77 58.63 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.229 -172.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.494 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 67.7 Cg_endo -77.19 143.02 22.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.596 2.197 . . . . 73.54 112.059 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.0 m -75.2 1.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.031 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -63.31 -27.66 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.622 -0.881 . . . . 63.22 108.622 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.64 152.23 26.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.219 -0.9 . . . . 74.2 109.594 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -82.06 143.6 31.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.021 0.439 . . . . 73.54 110.623 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.411 HG12 ' CD1' ' A' ' 29' ' ' TRP . 21.5 mt -84.02 122.37 75.95 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 72.42 109.877 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.96 -98.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 122.914 2.409 . . . . 52.44 113.795 -174.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.53 37.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.314 -0.241 . . . . 62.32 110.826 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.52 72.65 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.987 -0.625 . . . . 71.31 112.389 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HB2' HD11 ' A' ' 19' ' ' LEU . 55.5 p-90 -104.8 161.39 14.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.293 0.568 . . . . 75.23 111.84 -173.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.44 121.47 15.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.337 -0.847 . . . . 71.53 109.48 174.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.5 t -92.7 114.0 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.767 0.318 . . . . 71.24 110.649 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -79.53 -42.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 63.24 109.813 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.71 139.33 29.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.37 -0.832 . . . . 72.12 108.993 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -76.57 -134.63 0.58 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.715 -0.755 . . . . 64.42 111.95 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.73 98.23 11.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.584 1.183 . . . . 75.21 110.742 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.659 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -120.07 165.91 14.09 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.219 -1.81 . . . . 74.23 108.251 173.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 m -40.34 128.48 2.36 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.504 0.503 . . . . 75.44 112.059 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 8.7 tpt180 -52.37 -44.65 65.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.892 -0.594 . . . . 64.14 110.573 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.03 89.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.513 -0.767 . . . . 71.21 111.325 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.43 80.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 72.52 111.275 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.419 ' HB3' HD21 ' A' ' 28' ' ' LEU . 71.2 m -64.52 -48.12 76.31 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.947 0.403 . . . . 53.12 110.404 177.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 97.0 mt -59.9 -43.96 94.54 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.057 -0.52 . . . . 71.2 110.053 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.41 -45.56 76.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.252 0.549 . . . . 63.52 110.255 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.03 -51.53 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 62.33 111.046 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.2 m -69.46 -40.1 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.033 0.382 . . . . 74.32 112.033 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 5.6 mm-40 -72.63 -40.16 66.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 74.35 111.477 -176.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -70.24 -14.38 62.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.91 0.337 . . . . 75.4 111.91 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -68.43 -20.05 64.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.67 -0.241 . . . . 73.12 110.701 172.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.0 m95 56.08 45.32 23.78 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.149 0.58 . . . . 74.44 111.43 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.7 p -85.27 112.88 21.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.929 -0.578 . . . . 72.14 110.993 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -87.1 171.77 10.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.499 -0.556 . . . . 35.34 109.499 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 69.42 90.18 0.1 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.417 0.687 . . . . 71.54 110.314 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 83.2 mtt180 -135.3 167.47 22.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.378 -0.828 . . . . 73.24 110.59 -173.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 63' ' ' ARG . 22.2 Cg_endo -62.94 108.49 0.76 Allowed 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 121.981 1.787 . . . . 50.3 110.257 169.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -56.09 106.52 0.28 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.939 -173.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.8 m -82.38 86.99 6.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 53.54 110.482 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.1 tp -150.22 135.56 18.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.045 -0.525 . . . . 63.32 110.24 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 -120.22 -39.01 2.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 73.4 110.12 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -161.45 138.84 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.056 -0.72 . . . . 51.34 109.056 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.62 119.03 25.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.074 0.464 . . . . 74.14 111.384 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.6 tpp -122.7 107.77 12.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.0 -0.546 . . . . 51.33 109.631 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.84 -61.61 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.116 0.484 . . . . 74.04 110.08 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.32 142.9 39.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.878 -0.601 . . . . 71.22 110.487 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.651 -0.704 . . . . 62.35 109.952 -178.346 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.646 -0.581 . . . . 51.44 111.646 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -123.63 128.25 49.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 75.52 110.759 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -103.89 126.02 50.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 75.34 110.455 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.5 ttm -93.37 99.27 11.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.043 0.449 . . . . 71.13 110.061 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -130.06 102.09 6.11 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.912 -0.773 . . . . 73.33 108.912 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -130.33 168.88 16.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.122 -0.49 . . . . 73.13 110.169 -176.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.423 ' HB3' ' CD2' ' A' ' 9' ' ' PHE . 4.0 m-20 -74.34 131.81 79.92 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.134 -0.485 . . . . 71.44 109.749 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.95 31.76 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.89 2.393 . . . . 72.03 112.83 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 7' ' ' ASN . 50.5 m-85 -104.24 102.25 11.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.327 -0.397 . . . . 74.45 110.222 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -79.41 152.56 30.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.352 -0.61 . . . . 73.42 109.352 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.43 130.33 45.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 71.44 111.142 -173.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -92.37 163.17 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.106 -0.497 . . . . 73.51 110.949 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -131.81 17.75 4.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.344 0.592 . . . . 55.12 110.666 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.77 -155.75 8.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.213 -0.994 . . . . 51.13 112.276 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.5 169.75 17.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.82 -0.437 . . . . 53.33 109.82 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.555 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.71 147.13 25.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.526 -0.306 . . . . 61.53 110.188 -176.645 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -118.48 154.18 32.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.073 -0.512 . . . . 73.11 110.217 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.586 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 70.4 t -82.13 102.89 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.392 -0.966 . . . . 72.22 108.392 169.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.511 ' HG ' ' HE3' ' A' ' 39' ' ' TRP . 20.8 tp -120.98 127.88 52.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.642 -0.708 . . . . 73.41 109.733 -171.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -122.29 130.41 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.978 0.418 . . . . 65.21 110.292 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -93.6 165.43 12.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.939 -0.763 . . . . 61.42 108.939 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.04 -45.6 88.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 75.41 111.325 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -87.05 11.31 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 75.54 110.908 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -117.16 159.79 22.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.997 -0.371 . . . . 72.21 109.997 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.613 ' OE1' ' HA ' ' A' ' 61' ' ' ASP . 62.1 mt-30 -108.67 -35.81 6.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.149 0.426 . . . . 74.12 112.149 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.83 127.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.509 0.195 . . . . 71.22 110.725 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 74.3 m -150.74 144.35 25.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.251 0.548 . . . . 70.05 111.659 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.3 mm? -106.76 114.31 28.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 62.1 109.136 173.348 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 74.4 t-105 -108.41 120.72 45.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.539 -174.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 17.3 Cg_exo -66.97 135.28 37.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.627 2.218 . . . . 73.54 112.406 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.39 -9.65 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.76 0.79 . . . . 74.32 109.933 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -72.48 -17.42 61.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.219 -0.9 . . . . 63.22 109.487 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.79 145.18 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 74.2 109.312 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.24 123.45 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.651 0.262 . . . . 73.54 110.655 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.8 mt -75.4 115.89 49.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.577 . . . . 72.42 110.725 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.06 175.44 10.9 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 123.0 2.467 . . . . 52.44 112.42 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.62 158.26 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.342 -0.39 . . . . 62.32 110.351 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.34 -23.29 36.44 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.425 -0.67 . . . . 71.31 111.425 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.511 ' HE3' ' HG ' ' A' ' 19' ' ' LEU . 32.5 m95 -86.32 147.65 25.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.397 -0.401 . . . . 75.23 110.001 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -110.39 119.38 39.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.258 -0.428 . . . . 71.53 110.175 -176.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.66 120.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.24 110.457 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -99.75 -33.57 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.142 0.496 . . . . 63.24 110.6 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.586 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 58.4 t60 -151.36 143.5 23.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.932 -0.576 . . . . 72.12 109.449 -176.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.99 -158.89 23.65 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.626 -0.797 . . . . 64.42 112.95 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.4 pt-20 -82.29 98.27 8.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.631 0.729 . . . . 75.21 111.187 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.15 165.9 25.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.826 -1.079 . . . . 74.23 108.237 174.686 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -33.82 128.2 0.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.999 0.812 . . . . 75.44 112.246 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 10.2 ttm180 -62.01 -42.41 99.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.467 -0.333 . . . . 64.14 110.843 -173.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.74 80.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.457 -0.338 . . . . 71.21 110.508 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.99 88.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 72.52 110.54 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.549 ' HB3' HD11 ' A' ' 28' ' ' LEU . 99.3 m -64.23 -50.02 69.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 53.12 110.811 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 8.7 mp -54.49 -52.05 63.13 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.276 -0.42 . . . . 71.2 111.112 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.63 -44.35 77.05 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.985 -0.286 . . . . 63.52 111.042 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.32 -51.73 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.397 -0.365 . . . . 62.33 111.255 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.427 HG23 ' OE1' ' A' ' 56' ' ' GLU . 20.7 m -69.15 -39.62 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 74.32 111.772 -175.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 9.3 mm-40 -72.77 -31.38 64.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.658 -0.246 . . . . 74.35 111.12 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -71.76 -33.96 69.09 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.696 0.284 . . . . 75.4 110.33 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -60.19 -38.25 82.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.953 -0.758 . . . . 73.12 108.953 171.254 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.5 t90 59.58 79.14 0.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.934 -1.03 . . . . 74.44 111.013 174.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 p -106.69 -4.14 19.82 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 72.14 110.397 176.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.613 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 11.5 t70 -87.32 167.1 14.36 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.837 -0.62 . . . . 35.34 110.893 -174.405 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.86 -35.29 74.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.656 -0.702 . . . . 71.54 111.037 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 63' ' ' ARG . 21.2 tpt180 -161.46 122.67 1.62 Allowed Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 120.943 -0.303 . . . . 73.24 110.808 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -76.2 129.12 11.03 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.571 2.18 . . . . 50.3 112.429 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -100.55 -40.4 7.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.105 -0.498 . . . . 73.1 110.015 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 m -73.46 88.36 1.61 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 53.54 111.017 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -97.87 95.58 7.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.571 -0.9 . . . . 63.32 108.571 175.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -113.49 113.87 25.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.054 -0.521 . . . . 73.4 110.308 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -133.94 171.29 14.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.479 -0.328 . . . . 51.34 110.245 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.29 143.18 19.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.044 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -81.71 105.91 13.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.446 -0.575 . . . . 51.33 109.446 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.1 t -111.94 105.07 18.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.872 -0.604 . . . . 74.04 109.851 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -142.22 117.39 10.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.836 -0.62 . . . . 71.22 110.578 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.482 -0.771 . . . . 62.35 109.933 178.236 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 111.855 -0.498 . . . . 51.44 111.855 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -77.74 101.74 6.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.327 0.584 . . . . 75.52 110.604 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 42.7 p-80 -131.23 25.23 4.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.515 0.674 . . . . 75.34 109.363 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 93.6 mmm -87.61 96.64 10.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.357 -0.838 . . . . 71.13 110.068 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -75.94 71.98 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.943 -0.572 . . . . 73.33 110.941 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 p -82.28 -40.08 22.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.961 -0.563 . . . . 73.13 110.112 175.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -87.99 125.72 63.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.689 -0.687 . . . . 71.44 109.416 173.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.26 13.84 1.01 Allowed 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.838 2.359 . . . . 72.03 113.398 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 55.28 80.66 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.292 0.568 . . . . 74.45 111.648 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -104.1 127.79 51.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.398 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -123.74 -170.77 2.19 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.626 -0.879 . . . . 71.44 108.626 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -123.29 -39.24 2.48 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.922 -0.311 . . . . 73.51 111.185 -175.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -93.15 115.7 28.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.99 0.424 . . . . 55.12 110.936 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.36 82.26 0.92 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.636 -0.793 . . . . 51.13 111.988 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.74 168.73 19.28 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.953 -0.624 . . . . 53.33 109.906 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.663 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -137.81 145.72 42.66 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.171 -0.468 . . . . 61.53 110.882 -171.7 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.594 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 3.7 m-30 -120.56 156.03 32.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.555 . . . . 73.11 110.065 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t -88.77 97.36 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.182 -0.673 . . . . 72.22 109.182 174.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' A' ' 39' ' ' TRP . 16.0 tp -104.47 134.59 47.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 73.41 110.782 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 78.5 t -130.14 139.14 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.121 -0.491 . . . . 65.21 110.025 176.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.526 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 27.7 t-20 -124.32 153.5 41.67 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.459 -0.571 . . . . 61.42 109.459 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.47 -38.37 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.028 0.381 . . . . 75.41 112.028 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.31 24.35 12.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.019 0.438 . . . . 75.54 111.231 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 28.0 t70 -126.12 151.26 47.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.182 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.58 -53.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.969 -0.292 . . . . 74.12 110.294 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -166.39 128.24 1.82 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.735 175.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -117.53 114.31 23.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.167 0.508 . . . . 70.05 111.236 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -87.51 95.24 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.582 -1.266 . . . . 62.1 107.582 170.423 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -107.44 121.5 44.2 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 74.32 111.686 -164.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.75 139.01 39.22 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.972 2.448 . . . . 73.54 111.922 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.76 -10.53 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 74.32 111.283 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.57 -11.62 59.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.392 0.615 . . . . 63.22 109.838 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.98 139.28 41.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.723 -0.671 . . . . 74.2 109.741 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.4 131.02 44.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 73.54 110.786 -176.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.53 133.71 62.87 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 72.42 110.492 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.91 -164.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.475 0.42 0 C-N-CA 123.064 2.509 . . . . 52.44 112.962 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.13 161.19 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 62.32 110.349 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.01 29.68 70.53 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.625 -0.797 . . . . 71.31 111.889 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' A' ' 19' ' ' LEU . 53.1 p-90 -85.79 155.26 21.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.192 0.52 . . . . 75.23 111.856 -175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -135.06 117.44 15.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 71.53 109.587 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' CE3' ' A' ' 39' ' ' TRP . 89.8 t -96.08 114.31 32.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.398 -0.364 . . . . 71.24 110.271 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.56 -46.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.323 0.583 . . . . 63.24 109.648 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -154.56 155.85 35.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 72.12 109.665 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.18 -134.16 0.99 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.992 -0.623 . . . . 64.42 112.393 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -84.07 97.74 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.381 1.086 . . . . 75.21 110.44 -177.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.606 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -113.79 166.15 11.85 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.51 -1.677 . . . . 74.23 108.427 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.2 m -44.26 127.76 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.818 0.342 . . . . 75.44 111.539 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.663 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.7 tmt_? -58.56 -40.13 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.693 -174.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.7 88.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.416 . . . . 71.21 110.747 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.58 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.839 -0.619 . . . . 72.52 111.417 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.548 ' HB3' HD21 ' A' ' 28' ' ' LEU . 81.4 m -62.72 -50.48 70.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 53.12 110.962 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 55' ' ' VAL . 4.3 mm? -63.92 -37.5 87.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 71.2 110.785 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 24.9 t70 -60.53 -52.61 64.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.838 -0.43 . . . . 63.52 109.838 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -54.73 -50.68 67.78 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.102 -0.499 . . . . 62.33 111.734 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 52' ' ' LEU . 34.7 m -67.74 -40.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.687 -0.405 . . . . 74.32 111.991 -174.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.87 -32.97 65.78 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 111.82 0.304 . . . . 74.35 111.82 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 30.6 mtpp -69.01 -40.44 78.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.897 0.38 . . . . 75.4 110.727 178.283 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -83.85 0.03 49.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.25 -0.432 . . . . 73.12 110.465 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -80.14 118.28 21.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 74.44 109.234 176.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -98.5 137.45 37.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.063 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -84.04 11.65 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.365 -0.38 . . . . 35.34 110.92 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 tp -77.74 50.07 0.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.793 0.806 . . . . 71.54 110.126 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -117.41 89.98 33.36 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 108.154 -1.054 . . . . 73.24 108.154 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -88.78 146.89 5.79 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 122.566 2.177 . . . . 50.3 112.545 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.44 91.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 73.1 109.286 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 m -82.89 129.08 34.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.596 -0.729 . . . . 53.54 111.202 -173.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.5 mt -82.28 50.62 1.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.46 0.648 . . . . 63.32 110.15 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.459 HH11 ' HD3' ' A' ' 68' ' ' ARG . 1.2 tpm_? -84.21 77.15 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.398 -0.819 . . . . 73.4 109.762 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 64.49 109.88 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.442 -0.799 . . . . 51.34 110.506 -175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.97 73.81 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.008 -0.542 . . . . 74.14 111.933 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -69.5 -32.1 70.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.867 -0.79 . . . . 51.33 108.867 171.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.38 129.61 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 108.065 -1.087 . . . . 74.04 108.065 168.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.15 132.44 36.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.933 0.397 . . . . 71.22 111.02 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-N 115.736 -0.665 . . . . 62.35 110.086 177.901 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.02 0 N-CA-C 112.321 -0.312 . . . . 51.44 112.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 p -85.01 169.28 14.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.781 0.325 . . . . 75.52 111.35 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -122.2 -177.39 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.834 -0.802 . . . . 75.34 108.834 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.55 105.5 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.549 -0.908 . . . . 71.13 108.549 171.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -86.24 102.83 14.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.16 0.505 . . . . 73.33 110.48 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t -82.52 -47.27 12.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.503 -0.771 . . . . 73.13 110.973 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -110.99 105.68 57.24 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.997 -0.371 . . . . 71.44 109.997 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -91.79 24.12 0.55 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.384 2.723 . . . . 72.03 113.646 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -121.5 151.51 40.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.603 0.24 . . . . 74.45 110.531 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.24 93.46 8.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.081 0.467 . . . . 73.42 110.817 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -85.19 156.63 20.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.112 -0.699 . . . . 71.44 109.112 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -89.51 -48.79 7.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.635 0.255 . . . . 73.51 111.634 -175.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -82.93 169.51 15.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.019 0.438 . . . . 55.12 111.008 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.05 136.88 16.35 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.911 -0.662 . . . . 51.13 112.315 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.36 174.79 8.79 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.034 -0.358 . . . . 53.33 110.034 175.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.82 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -136.17 145.46 45.79 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.2 -0.296 . . . . 61.53 110.2 -179.383 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.594 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 9.6 m-30 -118.33 168.21 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.313 0.578 . . . . 73.11 111.293 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG13 HG12 ' A' ' 55' ' ' VAL . 75.1 t -98.03 97.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.481 -0.782 . . . . 72.22 109.394 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 39' ' ' TRP . 11.4 tp -104.76 128.49 52.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.565 . . . . 73.41 109.911 -174.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.95 130.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.766 -0.373 . . . . 65.21 110.673 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 43.5 t-20 -107.14 148.31 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.639 -0.875 . . . . 61.42 108.639 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.548 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 34.8 t70 -57.02 -36.64 70.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 75.41 111.699 -177.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.46 16.81 23.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.424 . . . . 75.54 111.015 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.635 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 13.2 t70 -121.74 167.56 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.167 -0.679 . . . . 72.21 109.167 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mm-40 -94.61 -54.75 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.306 0.575 . . . . 74.12 109.984 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.476 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 20.7 p-80 -167.97 128.06 1.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.363 -0.835 . . . . 71.22 110.058 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -119.18 109.74 16.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.998 0.428 . . . . 70.05 111.205 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -77.16 93.99 4.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.11 -1.07 . . . . 62.1 108.11 172.775 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 15.7 t-105 -107.78 119.54 50.0 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.757 -167.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.82 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.5 Cg_exo -68.01 148.19 75.33 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.738 2.292 . . . . 73.54 111.889 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -76.77 -3.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 74.32 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -85.38 -12.42 52.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.19 -0.914 . . . . 63.22 109.27 174.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.31 163.91 12.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.403 -0.817 . . . . 74.2 110.679 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.29 126.13 28.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.603 . . . . 73.54 111.379 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mm -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.223 -0.444 . . . . 72.42 109.843 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -84.47 -153.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 123.337 2.691 . . . . 52.44 111.712 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.93 153.62 32.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.799 -0.445 . . . . 62.32 109.799 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.633 ' CA ' HD23 ' A' ' 67' ' ' LEU . . . 97.46 29.89 7.6 Favored Glycine 0 CA--C 1.508 -0.355 0 C-N-CA 120.535 -0.841 . . . . 71.31 112.04 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.555 ' HB2' HD11 ' A' ' 19' ' ' LEU . 65.2 p-90 -117.94 165.78 13.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.203 0.525 . . . . 75.23 111.382 -174.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -145.97 113.92 6.51 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.416 -0.811 . . . . 71.53 109.138 170.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 96.6 t -76.9 100.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.216 -0.661 . . . . 71.24 109.216 175.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -77.62 -32.1 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.829 -0.623 . . . . 63.24 110.649 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.574 ' HE1' ' HB2' ' A' ' 46' ' ' ALA . 63.9 t-80 -142.83 142.03 31.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.768 -0.651 . . . . 72.12 109.746 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.78 -154.91 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.03 -0.605 . . . . 64.42 113.156 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.3 97.85 10.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.462 1.125 . . . . 75.21 111.158 -173.465 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.609 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.52 166.54 14.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.79 -1.55 . . . . 74.23 109.028 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -39.48 128.52 1.89 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.95 0.781 . . . . 75.44 111.59 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.404 HH11 HD12 ' A' ' 28' ' ' LEU . 14.6 tpt180 -47.53 -49.12 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.394 -0.821 . . . . 64.14 111.938 -174.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.91 81.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.786 0.326 . . . . 71.21 111.847 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.02 71.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 72.52 111.0 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.551 ' HB3' HD21 ' A' ' 28' ' ' LEU . 78.7 m -65.93 -40.35 91.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.373 -0.376 . . . . 53.12 110.493 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.475 HD12 ' HG ' ' A' ' 28' ' ' LEU . 7.6 mp -60.84 -49.98 75.28 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.298 -0.41 . . . . 71.2 110.619 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.94 -45.06 83.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.338 0.59 . . . . 63.52 110.594 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -60.32 -45.4 93.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.408 -0.815 . . . . 62.33 111.431 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 25.4 m -73.17 -34.86 45.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 121.006 -0.278 . . . . 74.32 111.716 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.11 -36.03 72.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.594 -0.276 . . . . 74.35 111.128 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -71.82 -31.42 66.52 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.499 0.555 . . . . 75.4 112.499 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -82.19 -31.37 30.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 73.12 110.647 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 17.2 t90 69.33 -66.29 0.26 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.199 -0.91 . . . . 74.44 112.866 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.414 HG23 ' N ' ' A' ' 61' ' ' ASP . 10.0 t -134.52 -54.03 0.83 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.396 0.888 . . . . 72.14 113.396 -173.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 60' ' ' THR . 23.0 t70 -135.33 146.32 48.31 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.46 -0.775 . . . . 35.34 112.719 -172.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -157.12 1.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.652 -1.158 . . . . 71.54 109.389 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.507 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 17.2 tpt180 -177.6 136.51 0.38 Allowed Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.001 -0.545 . . . . 73.24 109.77 -169.18 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HD2' ' HD2' ' A' ' 63' ' ' ARG . 75.3 Cg_exo -50.5 140.0 36.6 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.974 2.449 . . . . 50.3 112.748 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HG3' ' HA ' ' A' ' 22' ' ' ASP . 8.6 ptpp? -152.03 148.17 27.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.903 -0.59 . . . . 73.1 109.417 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.1 t -172.96 -175.65 1.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 53.54 110.609 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.633 HD23 ' CA ' ' A' ' 38' ' ' GLY . 2.5 tm? -111.25 111.9 23.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 63.32 109.87 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -103.44 -28.97 11.47 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.308 -0.627 . . . . 73.4 109.308 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 65.44 99.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.047 -0.978 . . . . 51.34 111.528 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.96 148.53 17.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.601 -0.727 . . . . 74.14 109.663 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.88 137.43 35.97 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.811 -0.441 . . . . 51.33 109.811 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.0 t -108.8 90.52 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.048 0.452 . . . . 74.04 109.783 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -160.01 113.29 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.48 -0.782 . . . . 71.22 109.675 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.495 -0.764 . . . . 62.35 110.357 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.77 -0.532 . . . . 51.44 111.77 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -71.35 119.36 15.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.75 0.309 . . . . 75.52 110.567 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -157.8 132.92 8.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.382 -0.372 . . . . 75.34 110.145 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.1 tpp -113.38 81.78 1.56 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.086 -0.709 . . . . 71.13 109.086 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -80.97 103.86 11.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.591 -0.732 . . . . 73.33 110.634 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.5 m -108.89 103.39 12.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.882 -0.599 . . . . 73.13 109.836 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -118.05 152.08 49.88 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.956 -0.566 . . . . 71.44 110.401 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.5 39.79 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.032 2.488 . . . . 72.03 112.983 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HB2' ' H ' ' A' ' 10' ' ' ASP . 44.1 m-85 -123.52 -94.16 0.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.487 -0.56 . . . . 74.45 109.487 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.43 ' H ' ' HB2' ' A' ' 9' ' ' PHE . 4.7 p-10 -168.56 166.56 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.833 -0.803 . . . . 73.42 108.833 176.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -150.52 167.2 27.92 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.086 -0.339 . . . . 71.44 110.086 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.96 -9.13 58.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.545 -0.298 . . . . 73.51 111.43 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -84.08 18.02 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 55.12 111.261 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.55 92.74 1.61 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.565 -0.826 . . . . 51.13 112.081 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 159.95 33.69 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.087 0.47 . . . . 53.33 110.45 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -123.46 145.12 49.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 61.53 110.131 -174.302 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.432 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.97 158.44 25.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.409 -0.36 . . . . 73.11 110.097 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.58 97.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.996 -0.742 . . . . 72.22 108.996 175.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 39' ' ' TRP . 25.6 tp -110.73 154.47 23.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.705 -0.679 . . . . 73.41 110.514 -172.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.82 131.21 62.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.638 -0.71 . . . . 65.21 109.588 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -115.59 148.55 39.47 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.879 -0.786 . . . . 61.42 108.879 173.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.93 -20.56 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.574 0.583 . . . . 75.41 112.574 -169.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.99 14.24 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 75.54 111.71 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -142.42 -163.42 1.6 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.146 -1.057 . . . . 72.21 108.146 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' HB2' HG23 ' A' ' 60' ' ' THR . 66.7 mt-30 -101.89 -52.81 3.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.297 0.57 . . . . 74.12 109.889 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.575 ' HB2' HG21 ' A' ' 60' ' ' THR . 58.7 m-70 -154.77 163.64 39.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.768 -0.827 . . . . 71.22 108.768 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 m -148.44 128.36 13.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.762 0.315 . . . . 70.05 111.385 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.72 98.95 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.453 -0.943 . . . . 62.1 108.453 169.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -107.58 124.37 35.21 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.731 -0.668 . . . . 74.32 110.748 -169.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.86 134.51 32.48 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.584 2.189 . . . . 73.54 112.116 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.91 -16.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 74.32 110.959 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -74.3 -14.59 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.014 0.435 . . . . 63.22 110.529 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.44 141.14 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 74.2 110.346 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -67.9 134.72 51.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.036 -0.529 . . . . 73.54 110.842 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.61 120.09 79.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.246 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.19 -99.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.059 2.506 . . . . 52.44 114.539 -171.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.37 44.18 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.964 -0.46 . . . . 62.32 111.232 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 30.02 76.48 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.646 -0.788 . . . . 71.31 111.349 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.552 ' HB2' HD11 ' A' ' 19' ' ' LEU . 49.5 p-90 -95.97 139.22 32.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.67 0.748 . . . . 75.23 112.572 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 3.2 mpt_? -124.72 114.8 19.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.833 -1.076 . . . . 71.53 109.256 173.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.95 112.11 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 71.24 110.136 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -80.2 -40.36 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.062 -0.517 . . . . 63.24 109.65 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -157.76 156.15 31.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.426 -0.807 . . . . 72.12 109.867 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -78.2 -139.81 1.49 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.763 -0.732 . . . . 64.42 111.684 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.634 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 1.7 pp20? -78.62 97.93 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.159 0.98 . . . . 75.21 110.204 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.574 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -111.81 166.41 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.435 -1.257 . . . . 74.23 109.155 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -45.64 128.34 8.36 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.401 0.438 . . . . 75.44 111.909 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.679 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.1 tpt180 -52.54 -52.4 55.06 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.79 -0.641 . . . . 64.14 111.748 -176.363 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.51 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 71.21 110.995 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.33 93.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 72.52 111.405 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.6 m -62.4 -50.39 71.73 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.79 0.329 . . . . 53.12 110.739 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.51 -47.69 84.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.63 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.61 -42.91 75.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.128 0.489 . . . . 63.52 110.455 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.7 -51.56 67.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.44 -0.8 . . . . 62.33 111.579 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.68 -34.75 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.807 0.299 . . . . 74.32 111.807 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.533 ' HG2' ' HA ' ' A' ' 62' ' ' LEU . 50.1 mt-10 -72.16 -32.56 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.33 0.11 . . . . 74.35 111.1 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -62.62 -28.07 69.65 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.963 0.411 . . . . 75.4 110.38 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -90.75 14.75 12.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.815 -0.63 . . . . 73.12 110.474 178.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 11.3 m-90 62.06 29.26 17.59 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.748 -0.66 . . . . 74.44 111.754 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.575 HG21 ' HB2' ' A' ' 26' ' ' HIS . 22.7 m -94.71 94.9 8.39 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.955 -0.298 . . . . 72.14 110.765 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.05 44.13 30.8 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.982 0.801 . . . . 35.34 110.57 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.62 HD23 ' H ' ' A' ' 62' ' ' LEU . 2.3 pt? -64.2 132.62 50.9 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.798 -0.637 . . . . 71.54 110.793 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 20.9 mmt180 -120.87 114.15 32.64 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.031 -0.531 . . . . 73.24 110.69 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 63' ' ' ARG . 36.3 Cg_endo -68.16 85.52 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.236 1.957 . . . . 50.3 111.969 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -95.22 -5.47 43.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 73.1 110.735 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.1 t -166.0 157.58 13.88 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.917 -0.772 . . . . 53.54 108.917 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -111.83 -43.8 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.039 -0.726 . . . . 63.32 109.039 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -125.9 94.83 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.016 -0.538 . . . . 73.4 110.189 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -108.41 147.16 32.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.386 -0.598 . . . . 51.34 109.386 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.38 92.89 5.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.017 0.437 . . . . 74.14 112.118 -172.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 64.2 mtt -104.84 65.13 0.74 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.752 -0.833 . . . . 51.33 108.752 169.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 p -93.83 -7.02 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.139 -0.937 . . . . 74.04 110.239 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 67.84 21.32 9.11 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.463 -0.79 . . . . 71.22 111.5 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.246 0.869 0 C-N-CA 123.45 0.7 . . . . 62.35 111.971 177.216 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.155 -0.378 . . . . 51.44 112.155 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -112.8 156.3 23.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.851 -0.426 . . . . 75.52 109.851 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -152.44 49.79 0.76 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.598 -0.519 . . . . 75.34 109.598 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.1 ptt? 41.56 46.24 3.03 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.115 -0.948 . . . . 71.13 111.669 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -31.29 23.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.954 -1.021 . . . . 73.33 110.245 176.268 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 m -73.06 121.83 20.81 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.565 -0.743 . . . . 73.13 110.252 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -62.7 130.09 93.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.065 0.459 . . . . 71.44 110.192 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.22 30.38 0.47 Allowed 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 123.234 2.622 . . . . 72.03 113.208 -174.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -93.76 81.25 4.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.966 0.413 . . . . 74.45 110.426 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -97.89 157.52 16.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.416 -0.587 . . . . 73.42 109.416 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -134.17 -39.28 0.85 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.372 -0.376 . . . . 71.44 110.293 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -75.66 112.63 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 73.51 110.068 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -90.3 133.52 34.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.082 -0.508 . . . . 55.12 110.709 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.64 126.9 3.16 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.63 -0.795 . . . . 51.13 112.246 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.89 162.07 14.54 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.18 -0.304 . . . . 53.33 110.18 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.625 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -128.21 145.69 50.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.372 -0.376 . . . . 61.53 110.472 -178.682 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.899 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 6.6 m-30 -115.57 164.13 14.76 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.325 177.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.16 100.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 72.22 109.501 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 39' ' ' TRP . 14.9 tp -109.34 128.0 54.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.416 -0.587 . . . . 73.41 109.416 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.664 HG21 HD23 ' A' ' 62' ' ' LEU . 58.5 t -125.24 132.45 71.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.062 0.458 . . . . 65.21 111.013 -178.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.431 ' H ' ' HB3' ' A' ' 24' ' ' ASP . 28.0 t-20 -92.63 160.37 15.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 61.42 109.129 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.38 -19.72 65.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.26 0.552 . . . . 75.41 110.721 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -102.34 2.19 36.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.894 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 14.6 t70 -119.32 166.6 12.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.048 -0.524 . . . . 72.21 110.838 -171.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.612 ' HG2' ' HA ' ' A' ' 61' ' ' ASP . 59.7 mt-30 -113.08 -35.07 5.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 74.12 110.651 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.504 ' HB2' HG21 ' A' ' 55' ' ' VAL . 46.6 p-80 -166.21 127.92 1.85 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.585 -0.28 . . . . 71.22 111.633 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.6 m -145.71 136.62 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.256 0.551 . . . . 70.05 110.816 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.9 114.65 28.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.488 -0.56 . . . . 62.1 109.488 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -118.07 122.77 30.09 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.097 -173.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 34.4 Cg_endo -65.53 144.34 78.79 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.524 2.149 . . . . 73.54 112.317 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -74.35 -1.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 74.32 111.113 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -96.57 5.05 51.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.754 -0.657 . . . . 63.22 109.503 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.6 163.78 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.719 -0.673 . . . . 74.2 111.007 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -75.98 140.26 41.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 73.54 110.971 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mt -116.61 117.4 38.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 72.42 109.834 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -86.33 -104.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.053 2.502 . . . . 52.44 113.753 -172.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.49 164.98 33.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.791 -0.448 . . . . 62.32 109.791 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.79 29.63 62.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.573 -0.822 . . . . 71.31 111.89 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.543 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.7 p-90 -119.14 156.08 30.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.143 0.497 . . . . 75.23 111.587 -174.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HG3' ' HB3' ' A' ' 64' ' ' PRO . 15.9 mmm180 -137.02 129.81 30.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.554 -0.748 . . . . 71.53 110.274 172.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.13 105.86 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.284 -0.636 . . . . 71.24 109.284 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -77.03 -36.32 24.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 63.24 110.595 -176.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.534 ' HE1' ' HB2' ' A' ' 46' ' ' ALA . 64.5 t-80 -154.88 150.26 27.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 72.12 109.672 -177.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.56 -151.05 5.33 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.086 -0.578 . . . . 64.42 112.431 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.899 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.12 98.26 8.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.499 1.143 . . . . 75.21 111.939 -173.053 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.625 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.98 165.87 15.33 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 113.517 -1.674 . . . . 74.23 108.644 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.9 m -43.91 130.38 5.78 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.516 0.51 . . . . 75.44 111.386 -176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -50.9 -49.4 59.51 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.965 -0.562 . . . . 64.14 111.509 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.882 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.21 81.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 72.52 110.651 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' HG22 ' A' ' 55' ' ' VAL . 84.9 m -65.81 -45.84 80.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 53.12 110.63 177.034 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 74.4 mt -59.23 -49.59 77.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.233 -0.44 . . . . 71.2 110.883 176.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.42 -45.48 88.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.234 0.54 . . . . 63.52 110.61 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.22 -0.9 . . . . 62.33 111.31 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 26' ' ' HIS . 28.7 m -72.58 -34.89 49.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.27 0.47 . . . . 74.32 112.27 -175.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 42.1 mt-10 -72.1 -29.98 64.63 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.912 -0.315 . . . . 74.35 110.643 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -74.11 -15.21 61.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.474 175.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 5.4 m-20 -71.68 -45.05 63.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.012 -0.736 . . . . 73.12 109.012 171.368 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 58.69 26.57 14.74 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.421 -0.809 . . . . 74.44 111.529 169.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.7 m -124.37 147.12 48.44 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.343 -0.39 . . . . 72.14 110.299 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.612 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . 16.0 t70 -67.06 96.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.265 -1.013 . . . . 35.34 108.265 173.223 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.664 HD23 HG21 ' A' ' 20' ' ' VAL . 32.6 tp -81.72 101.83 10.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.805 -0.634 . . . . 71.54 111.762 -166.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -117.58 140.61 27.71 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.374 -0.83 . . . . 73.24 109.247 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.523 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 25.9 Cg_endo -62.5 130.41 29.9 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.661 2.24 . . . . 50.3 112.883 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -87.6 148.82 24.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 73.1 109.961 175.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.5 t -78.87 96.47 5.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.219 0.533 . . . . 53.54 110.297 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 pp -139.45 158.47 44.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 63.32 110.115 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 68' ' ' ARG . 33.1 mtt180 -130.38 122.17 27.33 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.896 -0.409 . . . . 73.4 109.896 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -96.71 142.47 28.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.938 0.399 . . . . 51.34 110.843 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.22 87.41 5.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.764 -0.653 . . . . 74.14 110.124 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.44 95.98 10.51 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.737 -0.838 . . . . 51.33 108.737 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.54 140.0 39.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 74.04 110.696 -175.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -104.48 152.75 21.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.952 -0.567 . . . . 71.22 110.767 -176.639 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.245 0.82 0 N-CA-C 108.233 -1.025 . . . . 62.35 108.233 178.567 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.846 -0.502 . . . . 51.44 111.846 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -70.3 104.92 2.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.936 0.398 . . . . 75.52 111.355 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -130.05 131.22 45.72 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.369 -0.604 . . . . 75.34 109.369 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -99.22 97.56 8.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.036 0.446 . . . . 71.13 111.891 -171.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -86.52 99.65 11.83 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.486 -0.931 . . . . 73.33 108.486 171.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.608 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 m -80.22 0.56 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.916 -0.584 . . . . 73.13 111.752 -172.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -104.67 99.79 20.12 Favored Pre-proline 0 C--N 1.328 -0.367 0 O-C-N 122.345 -0.222 . . . . 71.44 110.942 -178.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.608 ' HD3' ' O ' ' A' ' 6' ' ' THR . 2.0 Cg_endo -84.99 -27.76 1.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.96 2.44 . . . . 72.03 111.657 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -107.67 94.87 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 74.45 110.486 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.35 114.51 22.47 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.006 -0.739 . . . . 73.42 109.006 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.06 106.59 0.74 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.611 -0.514 . . . . 71.44 109.611 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -93.65 128.58 39.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.46 0.648 . . . . 73.51 112.397 -170.569 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -144.02 96.43 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.204 -0.907 . . . . 55.12 108.59 170.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.91 -150.03 5.89 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.911 -0.662 . . . . 51.13 111.916 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.71 173.75 12.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 53.33 111.453 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.63 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -146.09 145.84 30.69 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.682 -0.69 . . . . 61.53 109.876 -175.462 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.514 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -113.23 158.28 20.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 73.11 110.793 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 t -89.56 97.39 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.852 -0.796 . . . . 72.22 108.852 174.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 39' ' ' TRP . 28.2 tp -108.37 137.01 47.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 73.41 110.631 -174.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.56 145.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.114 -0.698 . . . . 65.21 109.114 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -116.17 -169.56 1.63 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.246 -0.65 . . . . 61.42 109.246 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.8 -43.68 24.81 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.42 -0.512 . . . . 75.41 111.147 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -102.68 -7.05 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.408 . . . . 75.54 110.987 -179.32 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -112.33 126.94 55.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.587 -0.894 . . . . 72.21 108.587 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -103.95 4.1 34.28 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.69 0.626 . . . . 74.12 112.69 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -165.66 127.66 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 71.22 111.369 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -150.21 107.1 3.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.223 -0.444 . . . . 70.05 110.534 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -79.31 98.51 6.71 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.195 -1.039 . . . . 62.1 108.195 171.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -107.47 117.42 55.92 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.371 -0.832 . . . . 74.32 110.544 -169.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 23.0 Cg_exo -64.96 150.65 87.82 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.879 2.386 . . . . 73.54 112.382 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 32' ' ' PHE . 27.7 m -76.34 -169.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.569 . . . . 74.32 110.733 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 67.8 t80 74.11 -49.32 0.67 Allowed 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.589 0.555 . . . . 63.22 111.07 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.28 154.33 41.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.827 0.346 . . . . 74.2 111.168 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.12 143.45 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.89 0.376 . . . . 73.54 111.037 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.0 mt -98.73 140.7 21.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.914 -0.584 . . . . 72.42 110.222 -176.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.18 -159.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.356 2.704 . . . . 52.44 113.083 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.7 148.2 43.01 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.879 0.371 . . . . 62.32 111.215 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.85 29.78 33.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.892 -0.67 . . . . 71.31 112.467 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.58 ' HB2' HD11 ' A' ' 19' ' ' LEU . 29.4 p-90 -87.24 174.62 8.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.31 0.576 . . . . 75.23 112.207 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.5 113.98 9.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.162 -0.926 . . . . 71.53 109.179 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.526 HG23 ' CE3' ' A' ' 39' ' ' TRP . 82.3 t -94.02 120.87 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.697 0.284 . . . . 71.24 110.272 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.9 t -83.25 -40.84 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 63.24 110.712 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -166.59 156.06 11.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.036 -0.529 . . . . 72.12 110.025 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.482 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -72.53 -150.67 1.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 O-C-N 123.496 0.497 . . . . 64.42 112.979 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.514 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.03 97.85 8.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.659 0.742 . . . . 75.21 111.186 -173.468 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.585 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -109.67 166.46 10.88 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.045 -1.434 . . . . 74.23 108.478 173.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 m -44.09 128.14 5.73 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 123.159 0.287 . . . . 75.44 111.626 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.63 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 4.0 tmt_? -52.82 -47.55 67.57 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.0 -0.546 . . . . 64.14 111.014 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.55 88.88 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.718 -0.673 . . . . 71.21 111.1 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.43 -30.81 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.549 -0.296 . . . . 72.52 110.813 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.487 ' HB3' HD11 ' A' ' 28' ' ' LEU . 78.1 m -69.61 -48.08 61.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.435 -0.348 . . . . 53.12 110.109 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -57.15 -44.46 83.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.348 -0.387 . . . . 71.2 110.535 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.21 -44.71 75.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.256 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -62.48 -51.42 67.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.098 -0.955 . . . . 62.33 111.156 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.71 -34.89 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.11 0.411 . . . . 74.32 112.11 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' OE1' ' HG3' ' A' ' 65' ' ' LYS . 50.0 mt-10 -72.3 -39.7 68.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.604 0.24 . . . . 74.35 111.199 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -75.08 -15.05 60.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.615 0.245 . . . . 75.4 111.545 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -69.85 -14.34 62.7 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.921 -0.399 . . . . 73.12 109.921 170.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 70.51 8.67 6.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.603 -0.726 . . . . 74.44 110.62 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 m -90.66 77.7 6.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.213 0.53 . . . . 72.14 110.911 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -165.93 167.75 16.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.478 -0.783 . . . . 35.34 109.377 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.6 -41.37 84.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.851 0.357 . . . . 71.54 110.092 177.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -127.37 86.47 58.55 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 73.24 111.011 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.55 121.3 8.84 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.664 2.243 . . . . 50.3 111.241 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' OE1' ' A' ' 56' ' ' GLU . 22.0 pttp -134.03 155.93 49.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.178 -0.464 . . . . 73.1 111.089 -175.099 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.4 t -165.24 101.33 0.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.93 -0.767 . . . . 53.54 108.93 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 99.6 mt -111.74 12.54 21.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.174 -0.466 . . . . 63.32 111.714 -172.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 68' ' ' ARG . 4.6 tpt180 -152.11 127.09 9.68 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.92 -0.312 . . . . 73.4 110.628 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -128.41 82.25 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.776 0.798 . . . . 51.34 110.109 176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.62 116.53 31.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.586 -0.733 . . . . 74.14 111.045 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptm -84.26 91.56 7.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.579 0.704 . . . . 51.33 110.572 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.75 120.39 47.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.621 -0.718 . . . . 74.04 109.666 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.72 170.12 8.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.055 0.455 . . . . 71.22 110.984 -177.004 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.619 -0.705 . . . . 62.35 109.711 178.53 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.76 0 N-CA-C 111.893 -0.483 . . . . 51.44 111.893 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -149.62 111.37 4.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.277 -0.268 . . . . 75.52 110.277 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -64.98 101.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.733 -0.469 . . . . 75.34 109.733 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.4 mtp -73.38 91.45 1.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.949 0.404 . . . . 71.13 111.059 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -69.04 144.17 54.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.039 -0.528 . . . . 73.33 110.02 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 t -91.61 131.12 37.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.317 0.58 . . . . 73.13 111.02 -177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -120.31 99.72 48.03 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 71.44 110.572 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -83.78 -52.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.041 2.494 . . . . 72.03 112.513 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -88.75 121.8 31.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.038 -0.528 . . . . 74.45 111.476 -173.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -105.8 -10.68 16.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.265 -0.643 . . . . 73.42 109.265 173.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -128.19 134.2 49.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.276 -0.874 . . . . 71.44 109.946 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.452 ' OD1' ' HG3' ' A' ' 48' ' ' ARG . 26.8 m-20 -70.44 96.04 1.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.39 0.432 . . . . 73.51 110.401 -177.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -82.42 -29.02 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.993 0.425 . . . . 55.12 111.199 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.05 -148.92 5.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.699 -0.763 . . . . 51.13 111.795 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.82 140.04 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.786 -0.45 . . . . 53.33 109.786 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.824 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 1.3 p90 -123.6 145.53 48.85 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.306 -0.407 . . . . 61.53 110.269 -176.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -117.81 157.11 27.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.073 -0.512 . . . . 73.11 109.778 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.858 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 90.4 t -91.35 97.33 7.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.79 0.805 . . . . 72.22 108.972 173.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 39' ' ' TRP . 40.6 tp -103.82 153.93 20.17 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.886 -1.052 . . . . 73.41 109.338 -176.611 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.41 130.26 17.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.348 -0.541 . . . . 65.21 110.265 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.523 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 90.9 m-20 -84.09 150.51 25.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.444 -0.947 . . . . 61.42 108.444 172.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.45 -27.09 68.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.104 0.478 . . . . 75.41 110.82 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.48 6.38 48.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.819 -0.628 . . . . 75.54 111.744 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 3.5 t70 -117.04 -173.0 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.607 0.241 . . . . 72.21 110.428 -175.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -111.1 -49.79 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 74.12 110.632 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -165.96 128.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.457 -0.338 . . . . 71.22 110.572 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 m -125.85 104.18 8.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.07 0.462 . . . . 70.05 111.119 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.96 98.74 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.764 -0.828 . . . . 62.1 108.764 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 71.9 t-105 -115.07 116.07 42.66 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 74.32 110.859 -169.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.824 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 7.6 Cg_exo -73.0 140.87 32.12 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.836 2.357 . . . . 73.54 111.618 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.74 -7.33 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.028 0.442 . . . . 74.32 111.228 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.13 -24.99 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.518 -0.765 . . . . 63.22 109.575 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.19 148.54 24.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.76 -0.655 . . . . 74.2 109.723 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -73.18 133.64 44.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.859 0.361 . . . . 73.54 111.211 -176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.5 mt -87.36 127.87 57.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 72.42 111.0 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.51 -149.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.468 2.779 . . . . 52.44 111.777 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.97 156.05 46.89 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 122.182 -0.324 . . . . 62.32 110.274 173.037 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 29.91 5.2 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.91 -0.662 . . . . 71.31 111.662 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.488 ' HB2' HD11 ' A' ' 19' ' ' LEU . 45.0 p-90 -129.74 -179.97 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.311 0.577 . . . . 75.23 111.912 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -150.0 130.77 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.062 -0.972 . . . . 71.53 109.372 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.455 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 95.3 t -87.69 120.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.474 -0.565 . . . . 71.24 109.474 176.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG23 HG12 ' A' ' 18' ' ' VAL . 1.7 m -105.78 -2.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.507 -0.315 . . . . 63.24 111.814 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.858 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 34.3 t60 -170.96 139.9 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.684 -0.487 . . . . 72.12 109.684 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.97 -153.12 25.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 64.42 112.802 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -84.12 98.53 9.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 122.604 1.193 . . . . 75.21 111.925 -176.743 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.604 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.59 166.07 24.81 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.112 -1.404 . . . . 74.23 108.023 172.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -37.23 127.82 0.99 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.034 0.834 . . . . 75.44 112.3 -173.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HG3' ' OD1' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -64.24 -37.47 87.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 64.14 110.536 -172.399 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.46 90.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 71.21 111.098 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.54 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 72.52 110.604 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' HB3' HG22 ' A' ' 18' ' ' VAL . 72.8 m -65.52 -43.94 88.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.1 -0.5 . . . . 53.12 110.806 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.44 -44.59 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 71.2 109.977 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.19 -40.39 95.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.474 -0.33 . . . . 63.52 110.532 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -60.09 -50.69 72.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.123 -0.489 . . . . 62.33 111.165 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.71 -35.29 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 74.32 111.372 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -72.73 -29.76 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.846 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -76.61 -15.33 59.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 75.4 110.777 174.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -95.53 14.64 22.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.305 0.574 . . . . 73.12 110.042 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -88.43 -160.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.417 -0.81 . . . . 74.44 109.291 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.2 t -88.1 -5.55 58.4 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.086 -0.383 . . . . 72.14 111.58 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.72 102.3 13.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.113 0.482 . . . . 35.34 110.498 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.1 mt -75.73 126.58 31.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.602 -0.726 . . . . 71.54 110.795 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -131.59 137.16 29.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.353 -0.385 . . . . 73.24 110.529 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -62.98 135.83 53.54 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.601 2.2 . . . . 50.3 111.303 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.22 101.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.883 0.373 . . . . 73.1 110.552 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 m -102.66 15.69 28.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.197 0.522 . . . . 53.54 110.711 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.3 mt -110.12 124.2 51.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.003 -0.544 . . . . 63.32 110.518 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -99.59 106.01 17.94 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.795 -0.817 . . . . 73.4 108.795 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -173.67 177.16 2.56 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.449 -0.574 . . . . 51.34 109.449 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.22 4.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.677 -0.238 . . . . 74.14 111.63 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.6 ttp -115.25 101.37 8.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.086 0.469 . . . . 51.33 111.066 -177.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 p -167.62 109.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.651 -0.704 . . . . 74.04 109.339 177.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 67.27 85.37 0.14 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.614 -0.721 . . . . 71.22 109.477 -173.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.327 -0.844 . . . . 62.35 110.579 -174.726 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 3' ' ' HIS . . . . . . . . 0 N--CA 1.482 1.758 0 CA-C-O 120.238 -0.201 . . . . 51.44 113.125 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m 72.81 -25.75 0.19 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.409 0.684 . . . . 75.52 111.397 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.432 ' H ' ' C ' ' A' ' 1' ' ' GLY . 19.0 m170 -105.43 87.1 2.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.284 -0.636 . . . . 75.34 109.284 169.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.2 mmm -99.92 97.21 8.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.141 -0.481 . . . . 71.13 110.934 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -70.61 102.93 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.493 -0.558 . . . . 73.33 109.493 173.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 14.5 p -60.18 137.72 58.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.941 -0.572 . . . . 73.13 111.528 -177.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.884 HD21 ' HB2' ' A' ' 10' ' ' ASP . 34.4 t30 -107.14 99.61 27.95 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.233 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 6' ' ' THR . 95.0 Cg_endo -96.58 2.72 1.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.283 2.655 . . . . 72.03 112.096 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' CD2' ' HD2' ' A' ' 8' ' ' PRO . 39.4 m-85 -92.65 -63.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.044 -0.525 . . . . 74.45 110.149 -176.719 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.884 ' HB2' HD21 ' A' ' 7' ' ' ASN . 22.1 m-20 -87.66 168.19 13.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 73.42 109.656 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -111.93 95.35 5.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.258 0.551 . . . . 71.44 111.482 -174.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -87.86 155.54 19.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.724 -0.671 . . . . 73.51 109.597 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -123.37 163.68 20.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.041 0.448 . . . . 55.12 110.86 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.38 -167.53 34.0 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.044 -0.822 . . . . 51.13 111.044 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' H ' ' HE2' ' A' ' 32' ' ' PHE . . . -79.47 143.12 35.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.928 0.394 . . . . 53.33 110.327 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -131.71 145.56 51.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.919 -0.582 . . . . 61.53 110.286 -177.84 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -114.8 162.25 17.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.373 . . . . 73.11 110.742 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -90.43 97.18 6.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.964 -0.754 . . . . 72.22 108.964 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 39' ' ' TRP . 29.9 tp -111.07 129.03 56.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 73.41 111.185 -171.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -120.75 143.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.82 -0.807 . . . . 65.21 108.82 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.913 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 39.4 m-80 -120.33 -168.91 1.71 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.724 0.297 . . . . 61.42 110.513 -177.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -67.25 -45.02 77.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.123 -0.489 . . . . 75.41 111.224 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.87 -7.15 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.651 0.263 . . . . 75.54 111.629 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.913 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 15.1 m-20 -92.46 106.01 18.08 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.66 -0.496 . . . . 72.21 109.66 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -66.08 -43.49 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.5 -0.773 . . . . 74.12 111.772 -169.11 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.774 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 37.1 p-80 -160.21 128.28 4.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.958 0.409 . . . . 71.22 110.688 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 m -143.42 135.69 27.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.066 0.46 . . . . 70.05 111.08 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.5 mm? -89.29 102.55 15.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.793 -0.817 . . . . 62.1 108.793 172.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -107.41 126.26 30.42 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.814 -0.63 . . . . 74.32 110.952 -170.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -63.05 131.04 31.0 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.853 2.369 . . . . 73.54 112.222 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.69 -24.63 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.54 -0.755 . . . . 74.32 111.247 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' HE2' ' H ' ' A' ' 15' ' ' ALA . 95.1 m-85 -86.97 6.45 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 63.22 111.251 -178.183 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.56 131.63 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.228 -0.442 . . . . 74.2 109.922 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -57.08 127.5 32.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 73.54 111.167 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mt -92.8 132.27 31.63 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.228 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.18 -151.27 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.688 2.925 . . . . 52.44 112.511 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.32 142.63 51.08 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.933 -0.48 . . . . 62.32 110.344 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.53 29.9 3.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 71.31 111.521 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.543 ' HB2' HD11 ' A' ' 19' ' ' LEU . 53.5 p-90 -122.78 172.33 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.52 0.676 . . . . 75.23 111.905 -173.463 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -148.29 125.5 11.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.069 -0.969 . . . . 71.53 109.129 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.496 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 92.9 t -88.34 110.04 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.917 -0.401 . . . . 71.24 109.917 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -76.24 -37.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.057 0.456 . . . . 63.24 110.285 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -153.28 149.9 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.854 -0.612 . . . . 72.12 110.498 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.68 -157.3 5.53 Favored Glycine 0 N--CA 1.449 -0.463 0 O-C-N 123.719 0.637 . . . . 64.42 112.522 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.6 pt-20 -77.17 97.77 4.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.799 0.809 . . . . 75.21 111.15 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.64 166.52 13.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.477 -1.238 . . . . 74.23 109.148 177.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 m -37.88 128.21 1.22 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.625 0.578 . . . . 75.44 112.438 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.599 HH11 HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -56.4 -46.95 79.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.734 -0.667 . . . . 64.14 111.616 -175.249 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.5 98.77 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.062 0.458 . . . . 71.21 110.755 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.673 -0.694 . . . . 72.52 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.527 ' HB3' HD11 ' A' ' 28' ' ' LEU . 85.4 m -65.19 -44.86 87.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 53.12 111.279 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.599 HD21 HH11 ' A' ' 48' ' ' ARG . 4.3 mm? -60.04 -47.96 83.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.671 0.272 . . . . 71.2 110.956 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -55.76 -46.15 77.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.722 0.772 . . . . 63.52 109.776 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.72 -51.6 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.593 -1.185 . . . . 62.33 111.456 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.774 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.8 m -67.16 -34.72 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 74.32 111.762 -174.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.91 -46.5 57.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.553 -0.294 . . . . 74.35 110.622 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -70.23 -23.93 63.0 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.743 0.306 . . . . 75.4 111.702 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -86.65 8.64 21.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 73.12 111.061 177.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -112.39 -70.83 0.79 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.261 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.1 m -159.0 129.01 5.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.164 -0.68 . . . . 72.14 109.164 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -124.4 171.55 9.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 35.34 110.882 -175.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 62' ' ' LEU . 2.5 pt? -138.97 18.0 2.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.354 -0.839 . . . . 71.54 109.141 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -165.94 91.41 0.85 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.996 -1.002 . . . . 73.24 108.975 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -71.99 95.72 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.078 2.519 . . . . 50.3 113.067 -172.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -88.06 120.26 29.23 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.771 -0.826 . . . . 73.1 108.771 173.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -53.08 110.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.283 0 O-C-N 123.48 0.487 . . . . 53.54 111.234 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.771 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.9 pt? -107.63 107.63 18.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.31 0.576 . . . . 63.32 110.913 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 68' ' ' ARG . 20.2 ttm-85 -147.24 113.54 5.91 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 73.4 109.849 176.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -137.47 178.63 6.95 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.739 -0.838 . . . . 51.34 108.739 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.42 96.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.962 -0.385 . . . . 74.14 109.962 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.1 ptp -103.21 -15.53 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.968 -0.56 . . . . 51.33 110.845 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.65 111.19 25.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.719 0.771 . . . . 74.04 110.861 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.17 168.28 10.44 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.671 -0.695 . . . . 71.22 109.214 173.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.484 -0.77 . . . . 62.35 109.996 179.038 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 N-CA-C 111.822 -0.511 . . . . 51.44 111.822 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -84.25 130.43 34.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.607 0.242 . . . . 75.52 110.72 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -71.78 83.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.438 0.637 . . . . 75.34 110.166 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.3 mtt -123.85 88.52 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.69 -0.687 . . . . 71.13 109.484 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -68.4 96.84 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.961 -0.563 . . . . 73.33 110.773 -177.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.438 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -160.28 147.8 16.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.101 -0.954 . . . . 73.13 109.316 -179.369 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 63.7 t30 -105.26 100.14 23.89 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.502 -0.555 . . . . 71.44 109.502 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 6' ' ' THR . 3.1 Cg_endo -86.16 -17.43 3.79 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.956 2.437 . . . . 72.03 113.235 -174.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -113.7 161.66 17.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.202 0.525 . . . . 74.45 111.5 -174.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -125.29 153.88 42.57 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.68 -0.859 . . . . 73.42 108.68 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.04 91.7 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.241 0.543 . . . . 71.44 110.87 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -83.36 154.61 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.458 -0.941 . . . . 73.51 108.458 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -71.24 91.9 0.99 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.322 0.582 . . . . 55.12 111.239 -176.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.05 128.96 9.81 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.387 -0.824 . . . . 51.13 111.346 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' HG11 ' A' ' 31' ' ' VAL . . . -64.47 158.56 23.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.141 0.496 . . . . 53.33 111.303 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -136.3 148.83 48.14 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.64 -0.709 . . . . 61.53 109.38 -177.106 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.0 m-85 -113.56 158.47 20.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 120.838 0.351 . . . . 73.11 110.735 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -83.97 97.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.258 -0.645 . . . . 72.22 109.258 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 39' ' ' TRP . 25.5 tp -108.6 128.31 54.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.799 -173.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.8 t -117.35 130.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.044 -0.354 . . . . 65.21 110.044 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.735 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.5 t30 -99.76 154.57 18.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.763 -0.653 . . . . 61.42 109.336 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.44 -40.74 79.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 75.41 111.261 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.88 25.76 6.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.932 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.735 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 17.4 t70 -134.43 168.03 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.682 -0.488 . . . . 72.21 109.682 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -108.2 -41.58 4.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.964 0.412 . . . . 74.12 110.418 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -165.65 127.53 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.848 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.7 m -140.95 142.25 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.949 -0.569 . . . . 70.05 110.912 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.754 ' HG ' ' HG2' ' A' ' 48' ' ' ARG . 4.4 mm? -107.53 102.8 12.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.339 -0.615 . . . . 62.1 109.339 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.2 t-105 -107.76 130.12 23.24 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 74.32 110.518 -171.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 33.1 Cg_exo -58.94 148.76 83.04 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.102 2.535 . . . . 73.54 113.16 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG13 ' HD2' ' A' ' 32' ' ' PHE . 12.8 p -77.11 149.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 74.32 109.93 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.449 ' HD2' HG13 ' A' ' 31' ' ' VAL . 84.5 m-85 71.13 5.91 5.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.049 0.54 . . . . 63.22 111.245 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.06 156.66 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 136.23 48.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.743 0.306 . . . . 73.54 110.409 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.86 131.17 24.26 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 72.42 109.956 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.4 -163.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.066 2.511 . . . . 52.44 112.459 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.83 159.81 15.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.463 -0.335 . . . . 62.32 110.671 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.02 29.49 31.24 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.285 -0.484 . . . . 71.31 112.082 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.587 ' HB2' HD11 ' A' ' 19' ' ' LEU . 68.4 p-90 -104.5 161.86 13.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.232 0.539 . . . . 75.23 111.51 -174.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -148.77 117.28 6.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.322 -0.854 . . . . 71.53 109.495 173.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.461 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 97.6 t -84.09 118.23 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.458 -0.337 . . . . 71.24 110.234 178.152 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.12 -36.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.275 0.56 . . . . 63.24 110.271 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -161.33 155.56 22.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.058 -0.719 . . . . 72.12 109.058 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.539 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -69.12 -132.0 0.06 OUTLIER Glycine 0 C--N 1.334 0.441 0 O-C-N 123.382 0.426 . . . . 64.42 113.274 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.592 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.22 97.56 11.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.042 1.401 . . . . 75.21 110.95 -173.837 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.47 152.85 37.44 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 113.249 -1.796 . . . . 74.23 109.14 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 m -46.34 128.39 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.698 0.623 . . . . 75.44 111.585 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.754 ' HG2' ' HG ' ' A' ' 28' ' ' LEU . 4.8 tmm_? -58.79 -37.93 77.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.526 -0.761 . . . . 64.14 110.853 -172.678 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.66 89.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 71.21 111.046 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.3 -33.05 75.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.366 -0.379 . . . . 72.52 111.15 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.438 ' CB ' HD11 ' A' ' 28' ' ' LEU . 67.0 m -66.61 -46.37 76.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.327 -0.397 . . . . 53.12 110.469 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.02 -45.15 87.39 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.357 -0.383 . . . . 71.2 110.207 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.51 -48.03 75.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 63.52 110.58 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' OH ' ' HE2' ' A' ' 65' ' ' LYS . 19.2 t80 -57.07 -51.8 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.64 . . . . 62.33 111.726 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.19 -39.52 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.703 -0.399 . . . . 74.32 111.355 -174.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.29 -30.66 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.432 -0.349 . . . . 74.35 111.472 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -68.5 -25.52 65.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.846 0.355 . . . . 75.4 111.332 176.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -92.6 -42.22 9.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.562 -0.29 . . . . 73.12 110.959 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 86.6 t90 73.47 -47.92 0.67 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.602 0.761 . . . . 74.44 112.213 175.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.3 t -74.14 148.48 41.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.993 0.425 . . . . 72.14 111.171 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -73.86 -28.05 61.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.66 -0.7 . . . . 35.34 111.127 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.7 tp -106.62 108.08 19.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.121 -0.491 . . . . 71.54 110.712 -175.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -127.74 98.91 27.08 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.74 -0.663 . . . . 73.24 109.611 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -69.48 119.24 6.23 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.897 2.398 . . . . 50.3 112.386 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HE2' ' OH ' ' A' ' 54' ' ' TYR . 63.4 mttm -118.33 87.35 2.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 73.1 110.247 175.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.5 m -107.4 99.27 8.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.939 -0.573 . . . . 53.54 110.17 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -137.09 -57.9 0.71 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.075 -0.511 . . . . 63.32 109.623 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -159.17 86.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.784 -0.644 . . . . 73.4 109.772 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -105.15 99.34 8.96 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.477 -0.564 . . . . 51.34 109.477 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.38 172.77 17.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.969 -0.56 . . . . 74.14 110.177 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.2 mtm -85.18 104.68 15.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.81 -0.441 . . . . 51.33 109.81 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.43 -55.38 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.989 -0.551 . . . . 74.04 110.218 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.75 131.5 45.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.386 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.413 -0.803 . . . . 62.35 109.588 175.348 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 111.769 -0.532 . . . . 51.44 111.769 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -101.41 119.29 38.53 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.184 -0.302 . . . . 75.52 110.184 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.74 ' HB3' ' HB3' ' A' ' 36' ' ' PRO . 21.0 t-80 -95.86 82.79 3.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.225 0.535 . . . . 75.34 109.771 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.31 123.07 28.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.59 -0.732 . . . . 71.13 110.578 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -89.79 116.51 27.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 73.33 109.885 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 p -72.56 96.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.922 0.391 . . . . 73.13 111.128 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -100.32 118.69 60.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.815 -0.629 . . . . 71.44 109.918 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.13 -19.39 63.01 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.047 2.498 . . . . 72.03 112.574 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -95.96 169.44 9.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.572 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -114.83 -13.11 12.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.342 0.592 . . . . 73.42 110.634 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -105.18 167.83 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.542 -0.753 . . . . 71.44 111.848 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' OD1' ' HB3' ' A' ' 30' ' ' PRO . 2.6 t70 -102.28 151.67 21.96 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.523 -0.762 . . . . 73.51 111.146 -178.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -102.81 -23.67 13.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 55.12 111.383 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.21 -83.45 0.44 Allowed Glycine 0 CA--C 1.507 -0.443 0 C-N-CA 120.473 -0.87 . . . . 51.13 113.048 -172.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.6 149.48 40.78 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.034 -0.583 . . . . 53.33 109.987 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.2 p90 -119.42 145.51 46.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.7 0.286 . . . . 61.53 110.832 -176.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.7 m-85 -119.79 157.03 29.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.309 178.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.32 102.12 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.344 -0.613 . . . . 72.22 109.344 174.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.4 tp -110.02 138.83 45.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.791 -0.641 . . . . 73.41 110.597 -173.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.613 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 93.3 t -108.7 140.39 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.883 -0.599 . . . . 65.21 109.593 173.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 26.8 t-20 -103.76 159.63 15.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.095 -0.502 . . . . 61.42 110.207 -177.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.64 -45.65 48.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 75.41 112.167 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -114.09 -7.11 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.612 0.597 . . . . 75.54 112.612 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 11.4 t70 -111.05 151.97 27.42 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.236 -0.585 . . . . 72.21 110.844 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG2' ' HG ' ' A' ' 62' ' ' LEU . 69.6 mt-30 -72.54 -52.28 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 74.12 112.163 -171.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -157.35 139.03 14.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.99 0.424 . . . . 71.22 111.798 -173.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 m -147.3 132.23 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.096 -0.502 . . . . 70.05 110.287 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.6 mm? -82.36 111.37 18.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.176 -0.676 . . . . 62.1 109.176 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -107.36 116.07 58.6 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.895 -0.593 . . . . 74.32 110.558 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.464 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . 13.7 Cg_exo -70.05 139.22 38.7 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.683 2.256 . . . . 73.54 112.106 177.807 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.68 -2.57 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.235 0.541 . . . . 74.32 110.48 177.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -64.83 -25.84 68.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.455 -0.793 . . . . 63.22 109.977 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.04 158.03 19.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.562 . . . . 74.2 110.073 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.66 143.49 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 73.54 111.206 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.35 115.33 57.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 72.42 109.535 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.74 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 67.2 Cg_endo -83.65 -105.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.911 2.407 . . . . 52.44 113.802 -171.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.77 161.55 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.122 -0.325 . . . . 62.32 110.122 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.93 29.65 72.45 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.966 -0.854 . . . . 71.31 110.966 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TRP . . . . . 0.546 ' HB2' HD11 ' A' ' 19' ' ' LEU . 65.6 p-90 -105.97 148.05 28.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.103 -0.549 . . . . 75.23 111.082 -175.126 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.613 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 42.2 ttt-85 -135.45 114.22 11.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.836 -0.62 . . . . 71.53 109.445 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -86.81 113.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.76 0.314 . . . . 71.24 110.198 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -92.21 -33.66 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.511 . . . . 63.24 110.697 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.5 t60 -152.49 145.58 24.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.082 -0.508 . . . . 72.12 109.985 -176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.68 -151.53 16.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.865 -0.683 . . . . 64.42 112.601 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -88.98 98.02 11.53 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 122.886 1.327 . . . . 75.21 111.614 -173.236 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -135.49 166.32 23.46 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 112.842 -1.981 . . . . 74.23 108.333 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m -31.48 127.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.343 1.027 . . . . 75.44 113.086 -173.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ARG . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.3 tmm_? -64.04 -37.17 86.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.543 -0.753 . . . . 64.14 110.712 -173.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.36 84.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.599 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.54 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.539 . . . . 72.52 110.676 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' LEU . 72.8 m -62.53 -50.99 69.18 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.096 -0.502 . . . . 53.12 110.937 177.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 6.8 mp -54.73 -49.43 70.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.029 -0.532 . . . . 71.2 111.238 176.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.2 -41.9 97.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 63.52 110.641 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.88 -45.65 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 62.33 110.668 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.26 -34.47 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.603 -0.439 . . . . 74.32 111.362 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 45.5 mt-10 -67.35 -29.5 69.06 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.682 0.253 . . . . 74.35 111.682 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -85.52 -14.85 44.65 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.249 0.833 . . . . 75.4 113.249 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -112.15 15.14 20.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.735 1.383 . . . . 73.12 114.735 -167.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.533 ' HA ' HD23 ' A' ' 62' ' ' LEU . 62.8 p-90 -74.53 6.74 3.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.504 0.593 . . . . 74.44 111.361 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -54.78 -34.06 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.173 0.589 . . . . 72.14 112.493 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.28 -6.62 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.001 0.371 . . . . 35.34 112.001 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 59' ' ' TRP . 3.7 mm? -88.03 -72.21 0.54 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.118 -0.233 . . . . 71.54 111.137 -177.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 23.1 ttp180 -163.52 122.12 1.28 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.772 0.32 . . . . 73.24 111.008 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.486 ' HA ' ' HZ3' ' A' ' 59' ' ' TRP . 4.9 Cg_exo -77.66 173.3 14.36 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 123.171 2.581 . . . . 50.3 112.02 177.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? 64.47 3.84 2.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.927 -0.579 . . . . 73.1 112.473 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -104.11 112.22 25.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.099 0.476 . . . . 53.54 110.412 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -163.3 -178.83 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.888 -0.782 . . . . 63.32 108.888 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -139.47 179.59 6.46 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.102 -0.333 . . . . 73.4 110.102 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.19 154.37 39.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.027 -0.533 . . . . 51.34 111.004 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.09 77.4 1.38 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.091 -1.077 . . . . 74.14 108.091 169.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.4 tpp -69.34 145.56 52.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.515 -0.766 . . . . 51.33 111.452 -171.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.36 151.94 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.591 -0.732 . . . . 74.04 110.276 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.34 97.11 9.98 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.57 -0.529 . . . . 71.22 109.57 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.545 -0.74 . . . . 62.35 109.295 177.711 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.032 0.444 . . . . 53.33 111.451 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.646 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -154.71 146.65 23.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.937 -0.574 . . . . 61.53 110.105 -175.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -120.71 158.16 28.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.261 -0.427 . . . . 73.11 110.307 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 66.5 t -90.41 98.8 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.787 -0.82 . . . . 72.22 108.787 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 39' ' ' TRP . 27.8 tp -113.48 128.3 56.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.672 -0.694 . . . . 73.41 110.495 -172.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 26' ' ' HIS . 47.0 t -129.12 130.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.668 -0.493 . . . . 65.21 109.668 176.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.546 ' ND2' ' HB2' ' A' ' 24' ' ' ASP . 10.3 p30 -105.09 173.16 6.42 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.564 -0.532 . . . . 61.42 109.564 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.21 -24.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.023 0.379 . . . . 75.41 112.023 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -101.79 10.79 39.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.707 0.262 . . . . 75.54 111.707 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.546 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.8 t70 -116.0 -174.35 2.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.2 -0.296 . . . . 72.21 110.2 -177.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.49 -50.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.718 -0.219 . . . . 74.12 110.787 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HA ' HG22 ' A' ' 20' ' ' VAL . 45.8 p-80 -165.65 127.79 2.02 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.388 . . . . 71.22 109.954 172.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -145.0 145.16 31.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.44 0.638 . . . . 70.05 111.957 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -98.54 116.03 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.396 -0.82 . . . . 62.1 109.084 172.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 66.8 t-105 -107.48 115.99 58.54 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.128 -175.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 23.5 Cg_exo -65.1 131.97 30.37 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.782 2.322 . . . . 73.54 112.526 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t -75.97 77.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 122.069 0.938 . . . . 74.32 109.432 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.53 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.254 -1.339 . . . . 63.22 108.014 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.86 163.75 13.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.097 -0.956 . . . . 74.2 109.153 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.27 143.56 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.907 0.384 . . . . 73.54 110.691 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.418 HG23 HD21 ' A' ' 19' ' ' LEU . 56.8 mt -87.0 124.73 68.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 72.42 109.926 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -106.21 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.864 2.376 . . . . 52.44 113.671 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.02 160.36 43.69 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 122.04 -0.412 . . . . 62.32 110.645 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.76 29.63 63.0 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.862 -0.685 . . . . 71.31 112.075 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.513 ' HB2' HD11 ' A' ' 19' ' ' LEU . 52.7 p-90 -110.05 174.69 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.416 0.627 . . . . 75.23 111.99 -174.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -153.5 127.97 9.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.028 -0.987 . . . . 71.53 109.378 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.59 118.96 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.875 0.369 . . . . 71.24 110.205 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.15 -26.55 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.218 -0.446 . . . . 63.24 110.503 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.423 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . 66.0 t60 -165.1 144.84 6.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 72.12 109.914 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.35 -164.49 40.2 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.788 -0.72 . . . . 64.42 112.996 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 1.1 pp20? -74.18 98.72 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.201 1.0 . . . . 75.21 111.726 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.646 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -134.44 166.04 23.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.434 -1.257 . . . . 74.23 108.268 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -30.89 128.31 0.14 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.495 0.924 . . . . 75.44 113.495 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 9.5 tpt180 -54.33 -46.89 72.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.498 -0.774 . . . . 64.14 111.285 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.01 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 71.21 110.931 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.56 -39.49 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.587 . . . . 72.52 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.533 ' HB3' HD11 ' A' ' 28' ' ' LEU . 71.4 m -68.5 -44.43 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 53.12 110.765 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.82 -46.24 90.36 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 110.175 -0.306 . . . . 71.2 110.175 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.653 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 25.9 t70 -55.79 -53.31 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 63.52 110.082 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -54.84 -50.96 67.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.29 -0.414 . . . . 62.33 111.939 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 m -65.71 -37.57 80.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.857 -0.337 . . . . 74.32 111.398 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.47 -34.34 67.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.356 -0.384 . . . . 74.35 110.722 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.653 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 20.5 mtpp . . . . . 0 C--O 1.225 -0.231 0 N-CA-C 109.793 -0.447 . . . . 75.4 109.793 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.909 -0.404 . . . . 53.33 109.909 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.529 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -139.5 145.68 39.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.846 -0.427 . . . . 61.53 109.846 177.165 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -110.22 157.56 19.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.712 0.292 . . . . 73.11 110.737 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.453 HG12 ' HB ' ' A' ' 42' ' ' VAL . 17.4 t -88.12 97.51 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.136 -0.69 . . . . 72.22 109.136 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 39' ' ' TRP . 15.7 tp -114.73 164.73 13.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.196 -0.456 . . . . 73.41 109.838 -173.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.24 130.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 120.838 0.352 . . . . 65.21 110.059 170.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.02 151.23 21.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 61.42 110.076 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -50.69 -38.19 45.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 75.41 112.246 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -101.81 5.49 41.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.808 0.299 . . . . 75.54 111.808 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -117.95 160.7 21.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 72.21 111.174 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -80.06 -45.01 19.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.273 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -165.68 127.94 2.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.778 0.323 . . . . 71.22 110.855 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -120.67 116.05 24.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 70.05 111.612 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 102.28 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.29 0.567 . . . . 62.1 109.631 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -107.41 120.14 48.53 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 74.32 110.615 -171.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.52 134.3 40.75 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.093 2.528 . . . . 73.54 112.65 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.58 76.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.495 -0.775 . . . . 74.32 109.239 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -159.17 -36.48 0.06 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.987 -1.006 . . . . 63.22 109.489 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.53 163.57 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 74.2 109.853 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.91 143.3 55.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 73.54 110.871 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.7 mt -79.68 123.29 84.09 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.034 -0.358 . . . . 72.42 110.034 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 -155.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.21 2.606 . . . . 52.44 112.258 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.43 173.83 6.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.089 -0.337 . . . . 62.32 110.089 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.26 29.97 69.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 71.31 112.039 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.548 ' HB2' HD11 ' A' ' 19' ' ' LEU . 59.5 p-90 -108.53 147.61 31.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.189 0.519 . . . . 75.23 111.798 -173.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 40' ' ' ARG . 38.6 ttt180 -135.63 129.16 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.803 -0.814 . . . . 71.53 108.803 167.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.56 119.0 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.881 0.372 . . . . 71.24 110.059 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.453 ' HB ' HG12 ' A' ' 18' ' ' VAL . 40.3 t -83.6 -41.76 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.919 -0.582 . . . . 63.24 109.685 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.61 169.2 20.55 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.757 -0.656 . . . . 72.12 109.887 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.463 ' HA2' ' CE2' ' A' ' 17' ' ' PHE . . . -80.27 -141.63 2.73 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.932 -0.652 . . . . 64.42 113.099 -175.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -88.44 98.08 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.068 0.937 . . . . 75.21 110.392 -178.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.529 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.65 166.0 15.58 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.841 -1.527 . . . . 74.23 109.429 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 7.7 m -44.76 128.53 6.82 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.485 0.49 . . . . 75.44 111.227 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -54.66 -54.05 46.81 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.155 -0.475 . . . . 64.14 111.46 -173.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.41 77.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 71.21 111.028 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 47' ' ' SER . . . -69.64 -35.25 75.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 72.52 110.954 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 18' ' ' VAL . 64.5 m -64.23 -51.09 65.34 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.108 -0.331 . . . . 53.12 110.108 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 96.4 mt -55.66 -47.68 76.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.806 -0.634 . . . . 71.2 110.195 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.51 -52.96 61.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.255 -0.884 . . . . 63.52 110.988 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -58.27 -51.27 70.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.814 -0.63 . . . . 62.33 111.809 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 51' ' ' CYS . 28.8 m -66.08 -41.35 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.68 -0.408 . . . . 74.32 111.659 -174.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 18.5 mt-10 -72.64 -31.23 64.95 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.812 -0.355 . . . . 74.35 111.562 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 42.0 mttp . . . . . 0 N--CA 1.464 0.257 0 N-CA-C 111.765 0.283 . . . . 75.4 111.765 177.227 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' HB3' HG22 ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.234 -0.654 . . . . 53.33 109.234 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.596 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -94.81 145.85 24.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 61.53 111.723 -172.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.608 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 2.2 m-85 -111.79 166.37 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.38 -0.827 . . . . 73.11 109.871 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -91.64 97.48 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.309 -0.626 . . . . 72.22 109.309 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 39' ' ' TRP . 29.4 tp -108.63 128.4 54.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.78 0.324 . . . . 73.41 110.612 -174.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -114.62 143.9 23.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.869 -0.789 . . . . 65.21 108.869 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.499 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 28.6 m-80 -105.06 174.11 6.02 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.988 -0.375 . . . . 61.42 109.988 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.9 -36.01 42.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.216 0.532 . . . . 75.41 109.884 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -103.16 -6.59 22.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.687 -0.688 . . . . 75.54 111.73 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 18.8 t70 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.622 0.248 . . . . 72.21 110.699 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -80.19 -25.93 39.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.778 1.029 . . . . 74.12 113.778 -171.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.527 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . 19.2 p80 -165.69 131.82 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.084 0.772 . . . . 71.22 113.084 -173.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.2 m -141.02 121.89 14.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.442 -0.799 . . . . 70.05 110.201 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.34 93.51 9.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.663 -0.865 . . . . 62.1 108.663 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -107.7 125.83 31.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.316 -0.856 . . . . 74.32 111.045 -167.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.0 Cg_endo -73.81 141.11 29.98 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.644 2.229 . . . . 73.54 112.767 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.446 HG22 ' HB3' ' A' ' 15' ' ' ALA . 29.8 m -77.95 8.3 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.838 -0.619 . . . . 74.32 111.617 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -92.86 6.13 48.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.516 0.674 . . . . 63.22 109.329 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.63 163.78 27.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.346 -0.843 . . . . 74.2 109.893 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.0 143.55 49.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.865 0.364 . . . . 73.54 111.235 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -106.2 128.62 25.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.09 -0.504 . . . . 72.42 109.801 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.43 -152.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 123.371 2.714 . . . . 52.44 111.998 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.83 154.89 46.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.705 0.288 . . . . 62.32 110.387 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.5 29.7 5.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.887 -0.673 . . . . 71.31 111.682 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.524 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 31.4 p-90 -124.78 173.23 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.372 0.605 . . . . 75.23 112.465 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 5.1 mpt_? -137.69 114.44 10.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.836 -1.074 . . . . 71.53 109.465 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.456 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 81.0 t -83.33 116.13 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.47 -0.567 . . . . 71.24 109.47 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -81.04 -40.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 63.24 110.544 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -153.95 160.96 42.31 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.912 -0.585 . . . . 72.12 109.856 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -141.02 1.53 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.694 -0.765 . . . . 64.42 112.437 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.608 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -85.82 98.08 10.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.327 1.06 . . . . 75.21 110.652 -177.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.449 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.1 166.1 15.06 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.619 -1.628 . . . . 74.23 108.984 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -47.71 128.29 12.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 75.44 111.305 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 1.7 tmm_? -61.84 -37.07 83.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 64.14 111.169 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.83 75.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.342 -0.39 . . . . 71.21 110.974 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.06 98.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.86 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 80.7 m -64.26 -46.29 84.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 53.12 110.92 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 71.2 110.008 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.78 -48.48 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.853 -0.612 . . . . 63.52 110.469 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -61.03 -50.82 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 62.33 111.402 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 26' ' ' HIS . 33.2 m -66.13 -36.08 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.602 0.239 . . . . 74.32 111.615 -175.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -69.35 -40.84 77.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.123 0.487 . . . . 74.35 110.772 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 116.188 -0.46 . . . . 75.4 111.779 -179.809 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.5 0 CA-C-O 120.881 0.372 . . . . 53.33 110.332 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.578 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -144.81 145.59 31.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 61.53 109.546 177.643 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -119.08 167.94 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.553 . . . . 73.11 111.029 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 73.8 t -96.59 101.54 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.29 -0.868 . . . . 72.22 109.391 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 39' ' ' TRP . 13.5 tp -101.05 128.41 47.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.565 -0.743 . . . . 73.41 109.896 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -129.13 143.63 40.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.358 -0.383 . . . . 65.21 109.98 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -123.3 172.76 8.4 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.696 -0.853 . . . . 61.42 108.696 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.06 -30.69 70.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.035 0.445 . . . . 75.41 110.585 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -112.93 9.41 18.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.677 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -115.71 128.79 56.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.776 -0.824 . . . . 72.21 108.776 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.94 -53.93 11.57 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.651 -0.42 . . . . 74.12 111.063 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.562 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 5.4 p-80 -167.26 127.97 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.734 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -131.8 131.78 43.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.028 0.442 . . . . 70.05 111.248 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.2 mm? -85.05 106.31 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.895 -0.78 . . . . 62.1 108.895 172.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -109.04 116.02 56.1 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.161 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 21.2 Cg_exo -64.67 141.98 75.01 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.65 2.233 . . . . 73.54 111.851 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 31' ' ' VAL . 16.5 t -79.25 13.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 122.178 0.99 . . . . 74.32 109.54 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -95.64 -9.15 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.914 -1.039 . . . . 63.22 109.314 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.07 163.64 14.46 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.483 -0.781 . . . . 74.2 110.81 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.22 143.66 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 73.54 111.956 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -117.31 120.41 33.46 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 72.42 109.438 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -85.04 -107.96 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.763 2.308 . . . . 52.44 113.353 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.84 166.75 28.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.105 -0.372 . . . . 62.32 110.627 -175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.43 27.51 73.74 Favored Glycine 0 C--N 1.329 0.14 0 C-N-CA 120.794 -0.717 . . . . 71.31 111.934 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.57 ' HB2' HD11 ' A' ' 19' ' ' LEU . 38.2 p-90 -101.08 154.31 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.186 0.517 . . . . 75.23 111.449 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.534 ' HD2' ' C ' ' A' ' 39' ' ' TRP . 3.4 mpt_? -127.39 114.3 17.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.757 -0.656 . . . . 71.53 109.327 174.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.01 107.07 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.46 -0.571 . . . . 71.24 109.46 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -84.64 -29.17 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 63.24 110.903 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.915 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 53.5 t-80 -147.68 144.23 28.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.318 -0.401 . . . . 72.12 110.254 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.08 -158.64 29.85 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.083 -0.579 . . . . 64.42 112.815 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -80.7 98.35 7.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.256 1.027 . . . . 75.21 111.547 -176.307 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.915 ' HB3' ' HE1' ' A' ' 43' ' ' HIS . . . -146.21 166.15 27.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.76 -1.109 . . . . 74.23 108.209 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 m -31.36 127.8 0.18 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.418 1.074 . . . . 75.44 113.299 -168.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.527 ' NH1' HD11 ' A' ' 52' ' ' LEU . 2.3 tmm_? -62.91 -39.09 93.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.947 -1.024 . . . . 64.14 110.452 -173.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.291 -0.413 . . . . 71.21 111.179 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.35 87.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.225 0.536 . . . . 72.52 110.027 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.545 ' HB3' HD11 ' A' ' 28' ' ' LEU . 76.6 m -62.65 -42.29 99.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.647 -0.706 . . . . 53.12 110.344 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.527 HD11 ' NH1' ' A' ' 48' ' ' ARG . 79.5 mt -55.51 -47.88 75.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.563 -0.289 . . . . 71.2 110.815 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.47 -52.3 64.1 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.114 0.483 . . . . 63.52 110.231 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.27 -50.01 75.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.211 -0.904 . . . . 62.33 111.409 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.562 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 21.8 m -67.26 -36.66 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 111.948 0.351 . . . . 74.32 111.948 -175.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.94 -39.52 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 74.35 111.295 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt . . . . . 0 C--N 1.325 -0.464 0 CA-C-N 116.328 -0.396 . . . . 75.4 111.378 178.627 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.457 -0.117 0 N-CA-C 109.455 -0.572 . . . . 53.33 109.455 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.712 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -96.68 145.54 25.68 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.929 -0.578 . . . . 61.53 112.195 -170.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 3.5 m-85 -113.97 155.56 25.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.638 -0.71 . . . . 73.11 109.529 173.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 51' ' ' CYS . 41.9 t -82.37 97.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.43 -0.581 . . . . 72.22 109.43 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 39' ' ' TRP . 20.3 tp -105.65 128.09 53.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 73.41 110.356 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 94.9 t -108.94 137.83 39.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.31 -0.626 . . . . 65.21 109.31 173.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 1.139 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 43.0 m-80 -96.15 -173.36 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.143 -0.48 . . . . 61.42 109.875 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -76.92 -43.15 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.389 0.614 . . . . 75.41 109.842 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -114.02 17.32 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.324 -0.853 . . . . 75.54 111.497 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 1.139 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 6.7 t70 -120.22 147.08 45.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.444 -0.344 . . . . 72.21 110.636 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.51 -49.63 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 74.12 111.303 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -165.32 134.3 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.319 -0.4 . . . . 71.22 111.146 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.0 m -140.37 124.17 17.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.037 -0.529 . . . . 70.05 110.287 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.36 101.98 10.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.094 -0.706 . . . . 62.1 109.094 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -108.06 116.98 56.1 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.827 . . . . 74.32 110.687 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.712 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 15.4 Cg_exo -69.11 141.34 47.58 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.94 2.426 . . . . 73.54 112.81 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.79 2.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.761 -0.654 . . . . 74.32 111.509 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -76.26 -17.44 59.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.326 0.584 . . . . 63.22 109.779 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.73 148.1 37.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 74.2 110.495 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.16 142.89 57.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.258 -0.428 . . . . 73.54 111.08 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -94.94 119.39 66.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.856 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.9 -157.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.16 2.574 . . . . 52.44 112.205 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HA ' ' HD1' ' A' ' 39' ' ' TRP . . . -104.32 175.33 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.662 -0.496 . . . . 62.32 109.662 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.85 60.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.184 -1.008 . . . . 71.31 110.999 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HB2' HD11 ' A' ' 19' ' ' LEU . 64.5 p-90 -105.76 156.73 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.256 0.55 . . . . 75.23 111.833 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 20.0 tpt180 -142.84 114.07 7.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.299 -0.864 . . . . 71.53 109.116 174.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' CE3' ' A' ' 39' ' ' TRP . 76.9 t -92.39 114.18 28.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.92 0.391 . . . . 71.24 110.315 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.11 -35.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.062 -0.517 . . . . 63.24 110.91 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -159.33 148.82 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 72.12 110.2 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.8 -166.83 31.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.424 -0.417 . . . . 64.42 112.974 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 2.8 pt-20 -69.08 98.4 0.98 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.847 0.832 . . . . 75.21 111.919 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.548 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.67 166.36 24.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.402 -1.272 . . . . 74.23 108.294 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -35.71 128.27 0.64 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.779 0.675 . . . . 75.44 112.494 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.586 ' NH1' HD11 ' A' ' 52' ' ' LEU . 2.5 tmm_? -66.85 -41.66 87.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.774 -0.648 . . . . 64.14 110.765 -170.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.9 85.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.548 -0.296 . . . . 71.21 110.832 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.6 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.487 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' HG22 ' A' ' 18' ' ' VAL . 71.5 m -62.02 -49.02 77.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.216 -0.447 . . . . 53.12 110.695 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.586 HD11 ' NH1' ' A' ' 48' ' ' ARG . 94.8 mt -54.3 -50.52 67.14 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.826 174.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.23 -49.34 72.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.549 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.14 -51.58 68.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.535 -0.757 . . . . 62.33 111.411 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.46 -35.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.174 0.435 . . . . 74.32 112.174 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -72.21 -34.1 68.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.654 0.264 . . . . 74.35 111.25 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt . . . . . 0 C--N 1.326 -0.447 0 CA-C-N 116.678 -0.237 . . . . 75.4 111.502 177.689 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.834 0.35 . . . . 53.33 111.123 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -128.0 145.7 50.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.657 . . . . 61.53 109.875 -177.282 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.464 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.85 158.62 25.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.47 -0.332 . . . . 73.11 110.826 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -84.22 100.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.167 -0.679 . . . . 72.22 109.167 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 39' ' ' TRP . 13.6 tp -111.55 128.23 55.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.324 -0.398 . . . . 73.41 110.425 -171.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.75 130.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.292 -0.633 . . . . 65.21 109.292 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 49.2 m-80 -89.6 153.72 20.54 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.124 -0.695 . . . . 61.42 109.124 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.66 -25.81 68.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.904 0.383 . . . . 75.41 110.686 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -114.11 25.63 10.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 75.54 111.459 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 21' ' ' ASN . 14.6 t70 -137.13 160.84 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.159 -0.312 . . . . 72.21 110.159 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -83.07 -50.52 8.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 74.12 111.176 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.567 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -166.02 143.45 5.44 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.647 -0.251 . . . . 71.22 111.165 -176.736 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -147.82 149.68 32.77 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.528 0.68 . . . . 70.05 111.644 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.69 110.61 20.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.782 -0.821 . . . . 62.1 108.782 174.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' HG12 ' A' ' 35' ' ' ILE . 74.5 t-105 -117.82 121.59 31.53 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.549 -0.296 . . . . 74.32 111.283 -171.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 68.6 Cg_endo -75.43 134.25 16.9 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.564 2.176 . . . . 73.54 111.766 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.62 9.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.462 . . . . 74.32 112.02 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -75.34 -29.2 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.019 -0.734 . . . . 63.22 109.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.22 144.91 30.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 74.2 109.744 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.16 130.03 41.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.455 . . . . 73.54 111.437 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 29' ' ' TRP . 29.8 mt -74.37 129.03 84.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.784 -0.644 . . . . 72.42 109.827 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.99 -101.5 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.856 2.371 . . . . 52.44 114.061 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.58 160.28 43.92 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.489 -0.132 . . . . 62.32 110.756 -174.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.73 29.99 66.76 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.089 -0.577 . . . . 71.31 111.969 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' A' ' 19' ' ' LEU . 42.1 p-90 -104.11 139.01 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.582 0.706 . . . . 75.23 112.359 -173.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -119.63 114.91 22.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.894 -1.048 . . . . 71.53 109.559 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.85 110.67 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.683 -0.488 . . . . 71.24 109.683 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.44 -39.07 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.267 0.556 . . . . 63.24 109.603 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -155.13 154.87 33.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.261 -0.881 . . . . 72.12 109.385 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.464 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -80.43 -132.78 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 O-C-N 123.641 0.588 . . . . 64.42 112.918 -176.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -92.75 97.74 10.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.688 1.232 . . . . 75.21 110.562 -177.259 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.524 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -118.4 166.32 12.81 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 113.121 -1.854 . . . . 74.23 109.205 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -43.66 129.75 5.41 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.485 0.491 . . . . 75.44 111.544 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.3 tmm_? -54.08 -47.16 72.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.024 -0.534 . . . . 64.14 110.828 -175.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.51 96.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.509 -0.314 . . . . 71.21 110.61 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.23 86.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 72.52 111.045 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -66.59 -45.56 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 53.12 111.099 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.525 HD23 ' HD2' ' A' ' 48' ' ' ARG . 4.5 mm? -64.98 -42.79 94.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.879 0.371 . . . . 71.2 110.312 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.83 -46.41 81.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.401 0.62 . . . . 63.52 110.04 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.77 -51.35 70.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.939 -1.028 . . . . 62.33 111.304 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.6 m -69.76 -37.3 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.791 0.293 . . . . 74.32 111.791 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.16 -36.75 69.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.624 0.25 . . . . 74.35 111.6 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt . . . . . 0 C--N 1.326 -0.439 0 CA-C-O 120.591 0.234 . . . . 75.4 111.531 177.728 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . . . . . . 0 C--O 1.226 -0.139 0 N-CA-C 109.956 -0.387 . . . . 53.33 109.956 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.493 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -99.52 145.77 27.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 61.53 112.219 -174.119 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.906 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -120.67 155.92 32.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.294 -0.866 . . . . 73.11 110.018 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 43' ' ' HIS . 66.2 t -87.03 98.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.703 -0.481 . . . . 72.22 109.703 175.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.1 tp -106.0 129.9 54.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.79 -0.641 . . . . 73.41 110.237 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -109.09 135.05 49.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.845 0.355 . . . . 65.21 110.325 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.614 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . 28.6 t-20 -104.33 162.76 12.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.608 -0.886 . . . . 61.42 108.608 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -56.36 -46.12 80.16 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.297 0.48 . . . . 75.41 112.297 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -114.55 25.52 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.805 0.298 . . . . 75.54 111.805 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.614 ' CB ' ' HB3' ' A' ' 21' ' ' ASN . 37.7 t70 -111.26 155.54 22.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.865 0.364 . . . . 72.21 111.615 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.674 ' NE2' ' H ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -84.04 -50.49 7.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.986 -0.552 . . . . 74.12 112.009 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.674 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 14.9 p80 -165.85 128.11 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.858 0.361 . . . . 71.22 110.911 175.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -123.37 104.77 9.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.152 -0.476 . . . . 70.05 110.684 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.07 97.91 7.75 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.903 -0.777 . . . . 62.1 108.903 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 76.3 t-105 -107.56 126.54 29.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.815 -0.63 . . . . 74.32 110.787 -169.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.4 Cg_exo -68.26 131.93 24.64 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.752 2.301 . . . . 73.54 112.542 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.89 -4.26 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 74.32 111.098 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 73.8 t80 -75.67 -20.93 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.755 -0.657 . . . . 63.22 109.402 174.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.28 162.8 12.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 74.2 110.169 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.45 121.12 17.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.242 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -83.73 120.75 75.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.212 -0.449 . . . . 72.42 109.946 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.49 -153.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.376 2.717 . . . . 52.44 112.178 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.62 155.8 24.83 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 110.339 -0.245 . . . . 62.32 110.339 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.33 29.99 8.04 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.729 -0.748 . . . . 71.31 111.597 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' A' ' 19' ' ' LEU . 67.9 p-90 -121.72 160.77 23.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.09 0.472 . . . . 75.23 111.496 -173.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 40' ' ' ARG . 4.0 mmt180 -146.02 124.76 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 71.53 110.145 171.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.471 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 70.5 t -88.63 124.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 71.24 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.34 -36.37 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.033 0.444 . . . . 63.24 110.879 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.863 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 44.8 t-80 -145.44 144.52 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.512 . . . . 72.12 110.245 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.76 -157.95 14.45 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 121.061 -0.59 . . . . 64.42 113.345 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.906 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.61 99.41 9.54 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 122.569 1.176 . . . . 75.21 111.266 -176.215 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB3' ' HE1' ' A' ' 43' ' ' HIS . . . -144.35 166.09 26.07 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.457 -1.701 . . . . 74.23 108.843 173.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -31.41 128.19 0.17 Allowed 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.445 1.091 . . . . 75.44 113.484 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -55.98 -48.04 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.977 -1.011 . . . . 64.14 110.692 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 71.21 111.074 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.76 92.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 72.52 111.092 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.18 -51.18 68.86 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.452 -0.34 . . . . 53.12 110.972 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 52' ' ' LEU . 4.1 mm? -57.57 -46.98 83.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 71.2 111.239 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.63 -47.92 83.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.527 -0.306 . . . . 63.52 110.914 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.14 -51.63 68.92 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.279 -0.419 . . . . 62.33 111.49 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.61 -38.18 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.628 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -72.81 -29.94 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.926 -0.31 . . . . 74.35 111.64 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? . . . . . 0 N--CA 1.462 0.131 0 C-N-CA 121.189 -0.204 . . . . 75.4 111.034 176.095 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.325 0 CA-C-O 121.418 0.627 . . . . 53.33 111.087 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.631 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -132.86 145.64 51.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.943 -1.026 . . . . 61.53 109.298 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.509 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.0 m-85 -114.98 165.4 12.92 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.018 0.437 . . . . 73.11 111.013 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.69 97.7 7.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 N-CA-C 109.005 -0.739 . . . . 72.22 109.005 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 39' ' ' TRP . 21.0 tp -107.67 129.11 55.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.606 -0.724 . . . . 73.41 110.724 -173.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -114.76 134.27 58.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 65.21 110.102 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.745 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.7 t-20 -111.03 156.09 21.79 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 61.42 108.462 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.49 -38.92 72.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 75.41 111.355 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -109.97 21.07 17.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 75.54 111.422 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.745 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 18.2 t70 -134.09 132.65 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.497 -0.556 . . . . 72.21 109.497 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.64 -53.51 22.03 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 74.12 111.599 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -166.76 128.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.819 -0.173 . . . . 71.22 110.943 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -128.86 135.25 48.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 70.05 111.726 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 51' ' ' CYS . 2.8 mm? -84.03 101.5 11.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.725 -0.842 . . . . 62.1 108.725 170.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -107.69 116.86 56.84 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.705 -0.68 . . . . 74.32 110.681 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.631 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.7 Cg_endo -73.39 155.31 50.95 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.581 2.187 . . . . 73.54 112.31 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.38 -0.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.952 0.406 . . . . 74.32 111.562 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -101.03 24.95 8.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.779 0.799 . . . . 63.22 109.313 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.98 127.99 29.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.5 -0.773 . . . . 74.2 110.113 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -62.57 122.24 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.344 0.592 . . . . 73.54 110.941 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mt -77.01 128.71 80.58 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 72.42 110.722 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.47 -154.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.322 2.682 . . . . 52.44 112.289 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.24 166.5 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.494 0.188 . . . . 62.32 110.563 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 29.49 56.68 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.639 -0.791 . . . . 71.31 111.907 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.0 p-90 -109.66 151.81 26.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.846 0.355 . . . . 75.23 111.686 -174.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . 10.2 mmt180 -144.66 128.83 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.755 -0.657 . . . . 71.53 110.208 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.13 115.55 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.017 -0.538 . . . . 71.24 110.644 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.44 -25.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.076 0.465 . . . . 63.24 110.296 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.432 ' HE1' ' HB2' ' A' ' 46' ' ' ALA . 31.4 t-80 -157.71 143.46 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.135 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.75 -153.33 10.93 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.848 -0.691 . . . . 64.42 112.167 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.27 98.17 9.27 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.642 1.211 . . . . 75.21 111.259 -174.14 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.628 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.59 166.02 13.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.143 -1.844 . . . . 74.23 108.245 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -44.94 131.43 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.634 0.584 . . . . 75.44 111.179 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.2 tpp180 -51.47 -43.61 62.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 64.14 111.006 -176.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.22 89.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.258 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.05 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 72.52 110.861 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.497 ' HB3' HD11 ' A' ' 28' ' ' LEU . 80.5 m -64.73 -44.98 88.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.969 -0.56 . . . . 53.12 110.796 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 48' ' ' ARG . 95.4 mt -61.98 -44.45 96.72 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.828 0.347 . . . . 71.2 110.43 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.01 -46.72 82.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 63.52 110.11 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -62.62 -51.89 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 62.33 111.651 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.7 m -65.35 -40.96 90.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.655 0.264 . . . . 74.32 111.617 -174.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -72.77 -39.76 66.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.45 -0.341 . . . . 74.35 111.769 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 120.747 0.308 . . . . 75.4 111.467 178.713 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.05 0.452 . . . . 53.33 110.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.562 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -139.75 147.16 40.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 61.53 110.029 -176.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.624 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -118.05 163.08 17.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.301 -0.409 . . . . 73.11 110.381 177.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.2 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.208 -0.664 . . . . 72.22 109.208 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.7 tp -105.94 128.23 53.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.682 -0.69 . . . . 73.41 109.845 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 26' ' ' HIS . 88.3 t -126.9 133.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.995 0.426 . . . . 65.21 111.313 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -104.46 150.39 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.519 -0.919 . . . . 61.42 108.519 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -68.19 -14.54 63.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.853 0.359 . . . . 75.41 111.191 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.62 17.35 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.104 -0.498 . . . . 75.54 110.182 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.37 -166.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.837 -0.801 . . . . 72.21 108.837 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -125.46 -53.47 1.59 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.214 -0.304 . . . . 74.12 110.419 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HA ' HG22 ' A' ' 20' ' ' VAL . 25.4 p80 -166.14 144.87 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.327 . . . . 71.22 110.476 173.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 m -148.79 127.16 12.24 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.401 -0.363 . . . . 70.05 110.321 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.72 109.09 17.78 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.057 -0.72 . . . . 62.1 109.057 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 77.3 t-105 -107.62 116.31 57.82 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.912 -171.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 15.0 Cg_exo -69.34 139.34 41.45 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.043 2.495 . . . . 73.54 111.827 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.15 -1.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.728 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -68.38 -33.09 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.217 0.532 . . . . 63.22 110.312 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.15 139.89 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 74.2 109.4 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.63 143.33 48.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.791 -0.364 . . . . 73.54 110.04 -176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.413 HG23 HD21 ' A' ' 19' ' ' LEU . 56.6 mt -68.82 133.66 90.29 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.917 -0.583 . . . . 72.42 111.418 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.78 -163.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.023 2.482 . . . . 52.44 112.276 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.17 170.23 9.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.331 -0.395 . . . . 62.32 109.981 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.82 69.91 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.79 -0.719 . . . . 71.31 112.304 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HB2' HD11 ' A' ' 19' ' ' LEU . 60.0 p-90 -98.94 154.3 18.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.079 0.466 . . . . 75.23 112.024 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 3.0 tpt180 -149.42 126.14 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.923 -0.769 . . . . 71.53 108.923 170.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.73 116.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.693 0.282 . . . . 71.24 110.741 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -92.46 -29.53 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.179 0.514 . . . . 63.24 110.707 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -155.98 144.86 20.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.403 -0.591 . . . . 72.12 109.403 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.62 -148.74 9.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.595 -0.812 . . . . 64.42 112.446 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.624 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -83.85 98.21 9.62 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 122.403 1.097 . . . . 75.21 111.297 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.562 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -129.89 160.25 34.12 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.499 -1.682 . . . . 74.23 108.365 172.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 m -39.29 128.4 1.79 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.806 0.691 . . . . 75.44 112.036 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.772 HH11 HD22 ' A' ' 52' ' ' LEU . 6.3 tmm_? -51.8 -48.33 63.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.701 -0.681 . . . . 64.14 110.993 -174.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.14 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.495 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.94 65.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 72.52 111.127 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.12 -46.62 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 53.12 110.386 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.772 HD22 HH11 ' A' ' 48' ' ' ARG . 9.4 mp -57.56 -46.94 83.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 71.2 110.298 173.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.59 -49.02 73.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.792 -0.64 . . . . 63.52 110.588 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.93 -51.52 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 62.33 111.606 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.07 -41.14 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.852 -0.339 . . . . 74.32 111.691 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -70.47 -38.89 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.589 -0.278 . . . . 74.35 111.695 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt . . . . . 0 C--N 1.325 -0.474 0 CA-C-O 120.672 0.272 . . . . 75.4 111.385 179.431 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.466 0 CA-C-O 120.859 0.362 . . . . 53.33 110.304 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.659 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -146.3 145.74 30.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.868 -0.605 . . . . 61.53 109.374 -176.653 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.458 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.1 m-85 -121.37 157.47 30.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.834 0.349 . . . . 73.11 110.504 -178.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t -90.72 97.48 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.016 -0.735 . . . . 72.22 109.016 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.9 tp -100.22 137.77 38.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.314 -0.857 . . . . 73.41 110.17 -172.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -131.47 134.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.931 0.396 . . . . 65.21 110.52 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -117.99 152.59 35.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.736 -0.839 . . . . 61.42 108.736 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.85 -32.31 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 75.41 110.63 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.07 12.48 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.771 -0.649 . . . . 75.54 110.374 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -135.81 -166.71 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.818 -0.808 . . . . 72.21 108.818 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 26' ' ' HIS . 4.0 pt20 -129.39 -52.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.535 0.207 . . . . 74.12 110.659 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 49.7 m-70 -162.92 127.98 3.14 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.436 0.695 . . . . 71.22 109.231 -177.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 m -135.5 131.66 36.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.86 0.362 . . . . 70.05 110.914 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -84.73 102.34 12.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.877 -0.786 . . . . 62.1 108.877 171.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CD1' HG12 ' A' ' 35' ' ' ILE . 76.3 t-105 -107.65 115.77 58.63 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.229 -172.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.494 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 67.7 Cg_endo -77.19 143.02 22.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.596 2.197 . . . . 73.54 112.059 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.0 m -75.2 1.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.031 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -63.31 -27.66 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.622 -0.881 . . . . 63.22 108.622 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.64 152.23 26.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.219 -0.9 . . . . 74.2 109.594 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -82.06 143.6 31.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.021 0.439 . . . . 73.54 110.623 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.411 HG12 ' CD1' ' A' ' 29' ' ' TRP . 21.5 mt -84.02 122.37 75.95 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 72.42 109.877 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.96 -98.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 122.914 2.409 . . . . 52.44 113.795 -174.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.53 37.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.314 -0.241 . . . . 62.32 110.826 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.52 72.65 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.987 -0.625 . . . . 71.31 112.389 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HB2' HD11 ' A' ' 19' ' ' LEU . 55.5 p-90 -104.8 161.39 14.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.293 0.568 . . . . 75.23 111.84 -173.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.44 121.47 15.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.337 -0.847 . . . . 71.53 109.48 174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.5 t -92.7 114.0 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.767 0.318 . . . . 71.24 110.649 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -79.53 -42.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 63.24 109.813 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.71 139.33 29.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.37 -0.832 . . . . 72.12 108.993 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -76.57 -134.63 0.58 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.715 -0.755 . . . . 64.42 111.95 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.73 98.23 11.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.584 1.183 . . . . 75.21 110.742 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.659 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -120.07 165.91 14.09 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.219 -1.81 . . . . 74.23 108.251 173.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 m -40.34 128.48 2.36 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.504 0.503 . . . . 75.44 112.059 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 8.7 tpt180 -52.37 -44.65 65.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.892 -0.594 . . . . 64.14 110.573 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.03 89.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.513 -0.767 . . . . 71.21 111.325 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.43 80.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 72.52 111.275 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.419 ' HB3' HD21 ' A' ' 28' ' ' LEU . 71.2 m -64.52 -48.12 76.31 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.947 0.403 . . . . 53.12 110.404 177.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 97.0 mt -59.9 -43.96 94.54 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.057 -0.52 . . . . 71.2 110.053 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.41 -45.56 76.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.252 0.549 . . . . 63.52 110.255 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.03 -51.53 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 62.33 111.046 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.2 m -69.46 -40.1 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.033 0.382 . . . . 74.32 112.033 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 5.6 mm-40 -72.63 -40.16 66.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 74.35 111.477 -176.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt . . . . . 0 C--N 1.328 -0.36 0 N-CA-C 111.91 0.337 . . . . 75.4 111.91 179.296 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.82 -0.437 . . . . 53.33 109.82 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.555 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.71 147.13 25.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.526 -0.306 . . . . 61.53 110.188 -176.645 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -118.48 154.18 32.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.073 -0.512 . . . . 73.11 110.217 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.586 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 70.4 t -82.13 102.89 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.392 -0.966 . . . . 72.22 108.392 169.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.511 ' HG ' ' HE3' ' A' ' 39' ' ' TRP . 20.8 tp -120.98 127.88 52.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.642 -0.708 . . . . 73.41 109.733 -171.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -122.29 130.41 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.978 0.418 . . . . 65.21 110.292 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -93.6 165.43 12.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.939 -0.763 . . . . 61.42 108.939 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.04 -45.6 88.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 75.41 111.325 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -87.05 11.31 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 75.54 110.908 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -117.16 159.79 22.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.997 -0.371 . . . . 72.21 109.997 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.1 mt-30 -108.67 -35.81 6.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.149 0.426 . . . . 74.12 112.149 -177.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.83 127.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.509 0.195 . . . . 71.22 110.725 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 74.3 m -150.74 144.35 25.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.251 0.548 . . . . 70.05 111.659 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.3 mm? -106.76 114.31 28.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 62.1 109.136 173.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 74.4 t-105 -108.41 120.72 45.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.539 -174.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 17.3 Cg_exo -66.97 135.28 37.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.627 2.218 . . . . 73.54 112.406 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.39 -9.65 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.76 0.79 . . . . 74.32 109.933 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -72.48 -17.42 61.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.219 -0.9 . . . . 63.22 109.487 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.79 145.18 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 74.2 109.312 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.24 123.45 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.651 0.262 . . . . 73.54 110.655 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.8 mt -75.4 115.89 49.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.577 . . . . 72.42 110.725 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.06 175.44 10.9 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 123.0 2.467 . . . . 52.44 112.42 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.62 158.26 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.342 -0.39 . . . . 62.32 110.351 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.34 -23.29 36.44 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.425 -0.67 . . . . 71.31 111.425 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.511 ' HE3' ' HG ' ' A' ' 19' ' ' LEU . 32.5 m95 -86.32 147.65 25.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.397 -0.401 . . . . 75.23 110.001 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -110.39 119.38 39.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.258 -0.428 . . . . 71.53 110.175 -176.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.66 120.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.24 110.457 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -99.75 -33.57 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.142 0.496 . . . . 63.24 110.6 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.586 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 58.4 t60 -151.36 143.5 23.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.932 -0.576 . . . . 72.12 109.449 -176.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.99 -158.89 23.65 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.626 -0.797 . . . . 64.42 112.95 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.4 pt-20 -82.29 98.27 8.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.631 0.729 . . . . 75.21 111.187 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.555 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.15 165.9 25.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.826 -1.079 . . . . 74.23 108.237 174.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -33.82 128.2 0.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.999 0.812 . . . . 75.44 112.246 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 10.2 ttm180 -62.01 -42.41 99.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.467 -0.333 . . . . 64.14 110.843 -173.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.74 80.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.457 -0.338 . . . . 71.21 110.508 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.99 88.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 72.52 110.54 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.549 ' HB3' HD11 ' A' ' 28' ' ' LEU . 99.3 m -64.23 -50.02 69.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 53.12 110.811 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 8.7 mp -54.49 -52.05 63.13 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.276 -0.42 . . . . 71.2 111.112 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.63 -44.35 77.05 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.985 -0.286 . . . . 63.52 111.042 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.32 -51.73 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.397 -0.365 . . . . 62.33 111.255 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.427 HG23 ' OE1' ' A' ' 56' ' ' GLU . 20.7 m -69.15 -39.62 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 74.32 111.772 -175.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 9.3 mm-40 -72.77 -31.38 64.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.658 -0.246 . . . . 74.35 111.12 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 C--O 1.235 0.302 0 CA-C-O 120.696 0.284 . . . . 75.4 110.33 174.573 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.906 -0.405 . . . . 53.33 109.906 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.663 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -137.81 145.72 42.66 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.171 -0.468 . . . . 61.53 110.882 -171.7 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.594 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 3.7 m-30 -120.56 156.03 32.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.555 . . . . 73.11 110.065 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t -88.77 97.36 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.182 -0.673 . . . . 72.22 109.182 174.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' A' ' 39' ' ' TRP . 16.0 tp -104.47 134.59 47.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 73.41 110.782 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.408 HG22 ' HD2' ' A' ' 26' ' ' HIS . 78.5 t -130.14 139.14 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.121 -0.491 . . . . 65.21 110.025 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.526 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 27.7 t-20 -124.32 153.5 41.67 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.459 -0.571 . . . . 61.42 109.459 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.47 -38.37 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.028 0.381 . . . . 75.41 112.028 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.31 24.35 12.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.019 0.438 . . . . 75.54 111.231 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 28.0 t70 -126.12 151.26 47.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.182 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.58 -53.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.969 -0.292 . . . . 74.12 110.294 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.408 ' HD2' HG22 ' A' ' 20' ' ' VAL . 2.5 m170 -166.39 128.24 1.82 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.735 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -117.53 114.31 23.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.167 0.508 . . . . 70.05 111.236 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -87.51 95.24 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.582 -1.266 . . . . 62.1 107.582 170.423 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -107.44 121.5 44.2 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 74.32 111.686 -164.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.75 139.01 39.22 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.972 2.448 . . . . 73.54 111.922 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.76 -10.53 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 74.32 111.283 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.57 -11.62 59.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.392 0.615 . . . . 63.22 109.838 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.98 139.28 41.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.723 -0.671 . . . . 74.2 109.741 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.4 131.02 44.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 73.54 110.786 -176.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.53 133.71 62.87 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 72.42 110.492 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.91 -164.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.475 0.42 0 C-N-CA 123.064 2.509 . . . . 52.44 112.962 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.13 161.19 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 62.32 110.349 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.01 29.68 70.53 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.625 -0.797 . . . . 71.31 111.889 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' A' ' 19' ' ' LEU . 53.1 p-90 -85.79 155.26 21.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.192 0.52 . . . . 75.23 111.856 -175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -135.06 117.44 15.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 71.53 109.587 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' CE3' ' A' ' 39' ' ' TRP . 89.8 t -96.08 114.31 32.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.398 -0.364 . . . . 71.24 110.271 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.56 -46.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.323 0.583 . . . . 63.24 109.648 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -154.56 155.85 35.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 72.12 109.665 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.18 -134.16 0.99 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.992 -0.623 . . . . 64.42 112.393 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -84.07 97.74 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.381 1.086 . . . . 75.21 110.44 -177.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.606 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -113.79 166.15 11.85 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.51 -1.677 . . . . 74.23 108.427 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.2 m -44.26 127.76 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.818 0.342 . . . . 75.44 111.539 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.663 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.7 tmt_? -58.56 -40.13 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.693 -174.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.7 88.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.416 . . . . 71.21 110.747 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.58 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.839 -0.619 . . . . 72.52 111.417 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.548 ' HB3' HD21 ' A' ' 28' ' ' LEU . 81.4 m -62.72 -50.48 70.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 53.12 110.962 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 55' ' ' VAL . 4.3 mm? -63.92 -37.5 87.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 71.2 110.785 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 24.9 t70 -60.53 -52.61 64.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.838 -0.43 . . . . 63.52 109.838 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -54.73 -50.68 67.78 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.102 -0.499 . . . . 62.33 111.734 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 52' ' ' LEU . 34.7 m -67.74 -40.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.687 -0.405 . . . . 74.32 111.991 -174.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.87 -32.97 65.78 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 111.82 0.304 . . . . 74.35 111.82 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 30.6 mtpp . . . . . 0 N--CA 1.464 0.263 0 CA-C-O 120.897 0.38 . . . . 75.4 110.727 178.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 110.034 -0.358 . . . . 53.33 110.034 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.82 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -136.17 145.46 45.79 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.2 -0.296 . . . . 61.53 110.2 -179.383 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.594 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 9.6 m-30 -118.33 168.21 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.313 0.578 . . . . 73.11 111.293 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.447 HG13 HG12 ' A' ' 55' ' ' VAL . 75.1 t -98.03 97.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.481 -0.782 . . . . 72.22 109.394 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 39' ' ' TRP . 11.4 tp -104.76 128.49 52.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.565 . . . . 73.41 109.911 -174.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.95 130.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.766 -0.373 . . . . 65.21 110.673 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 43.5 t-20 -107.14 148.31 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.639 -0.875 . . . . 61.42 108.639 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -57.02 -36.64 70.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 75.41 111.699 -177.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.46 16.81 23.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.424 . . . . 75.54 111.015 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.635 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 13.2 t70 -121.74 167.56 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.167 -0.679 . . . . 72.21 109.167 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -94.61 -54.75 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.306 0.575 . . . . 74.12 109.984 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.476 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 20.7 p-80 -167.97 128.06 1.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.363 -0.835 . . . . 71.22 110.058 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -119.18 109.74 16.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.998 0.428 . . . . 70.05 111.205 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.551 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -77.16 93.99 4.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.11 -1.07 . . . . 62.1 108.11 172.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 15.7 t-105 -107.78 119.54 50.0 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.757 -167.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.82 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.5 Cg_exo -68.01 148.19 75.33 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.738 2.292 . . . . 73.54 111.889 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -76.77 -3.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 74.32 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -85.38 -12.42 52.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.19 -0.914 . . . . 63.22 109.27 174.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.31 163.91 12.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.403 -0.817 . . . . 74.2 110.679 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.29 126.13 28.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.603 . . . . 73.54 111.379 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mm -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.223 -0.444 . . . . 72.42 109.843 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -84.47 -153.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 123.337 2.691 . . . . 52.44 111.712 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.93 153.62 32.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.799 -0.445 . . . . 62.32 109.799 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 97.46 29.89 7.6 Favored Glycine 0 CA--C 1.508 -0.355 0 C-N-CA 120.535 -0.841 . . . . 71.31 112.04 -179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.555 ' HB2' HD11 ' A' ' 19' ' ' LEU . 65.2 p-90 -117.94 165.78 13.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.203 0.525 . . . . 75.23 111.382 -174.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -145.97 113.92 6.51 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.416 -0.811 . . . . 71.53 109.138 170.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 96.6 t -76.9 100.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.216 -0.661 . . . . 71.24 109.216 175.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -77.62 -32.1 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.829 -0.623 . . . . 63.24 110.649 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.574 ' HE1' ' HB2' ' A' ' 46' ' ' ALA . 63.9 t-80 -142.83 142.03 31.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.768 -0.651 . . . . 72.12 109.746 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.78 -154.91 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.03 -0.605 . . . . 64.42 113.156 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.3 97.85 10.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.462 1.125 . . . . 75.21 111.158 -173.465 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.609 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.52 166.54 14.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.79 -1.55 . . . . 74.23 109.028 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -39.48 128.52 1.89 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.95 0.781 . . . . 75.44 111.59 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.404 HH11 HD12 ' A' ' 28' ' ' LEU . 14.6 tpt180 -47.53 -49.12 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.394 -0.821 . . . . 64.14 111.938 -174.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.91 81.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.786 0.326 . . . . 71.21 111.847 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.02 71.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 72.52 111.0 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.551 ' HB3' HD21 ' A' ' 28' ' ' LEU . 78.7 m -65.93 -40.35 91.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.373 -0.376 . . . . 53.12 110.493 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.475 HD12 ' HG ' ' A' ' 28' ' ' LEU . 7.6 mp -60.84 -49.98 75.28 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.298 -0.41 . . . . 71.2 110.619 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.94 -45.06 83.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.338 0.59 . . . . 63.52 110.594 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -60.32 -45.4 93.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.408 -0.815 . . . . 62.33 111.431 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.476 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 25.4 m -73.17 -34.86 45.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 121.006 -0.278 . . . . 74.32 111.716 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.11 -36.03 72.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.594 -0.276 . . . . 74.35 111.128 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 83.6 mttt . . . . . 0 C--N 1.331 -0.22 0 N-CA-C 112.499 0.555 . . . . 75.4 112.499 179.531 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.087 0.47 . . . . 53.33 110.45 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -123.46 145.12 49.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 61.53 110.131 -174.302 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.432 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.97 158.44 25.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.409 -0.36 . . . . 73.11 110.097 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.58 97.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.996 -0.742 . . . . 72.22 108.996 175.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 39' ' ' TRP . 25.6 tp -110.73 154.47 23.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.705 -0.679 . . . . 73.41 110.514 -172.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.82 131.21 62.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.638 -0.71 . . . . 65.21 109.588 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -115.59 148.55 39.47 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.879 -0.786 . . . . 61.42 108.879 173.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.93 -20.56 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.574 0.583 . . . . 75.41 112.574 -169.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.99 14.24 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 75.54 111.71 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -142.42 -163.42 1.6 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.146 -1.057 . . . . 72.21 108.146 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 20.8 mt-30 -101.89 -52.81 3.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.297 0.57 . . . . 74.12 109.889 178.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 58.7 m-70 -154.77 163.64 39.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.768 -0.827 . . . . 71.22 108.768 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 m -148.44 128.36 13.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.762 0.315 . . . . 70.05 111.385 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.72 98.95 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.453 -0.943 . . . . 62.1 108.453 169.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -107.58 124.37 35.21 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.731 -0.668 . . . . 74.32 110.748 -169.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.86 134.51 32.48 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.584 2.189 . . . . 73.54 112.116 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.91 -16.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 74.32 110.959 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -74.3 -14.59 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.014 0.435 . . . . 63.22 110.529 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.44 141.14 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 74.2 110.346 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -67.9 134.72 51.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.036 -0.529 . . . . 73.54 110.842 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.61 120.09 79.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.246 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.19 -99.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.059 2.506 . . . . 52.44 114.539 -171.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.37 44.18 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.964 -0.46 . . . . 62.32 111.232 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 30.02 76.48 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.646 -0.788 . . . . 71.31 111.349 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.552 ' HB2' HD11 ' A' ' 19' ' ' LEU . 49.5 p-90 -95.97 139.22 32.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.67 0.748 . . . . 75.23 112.572 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.418 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 3.2 mpt_? -124.72 114.8 19.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.833 -1.076 . . . . 71.53 109.256 173.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.95 112.11 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 71.24 110.136 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -80.2 -40.36 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.062 -0.517 . . . . 63.24 109.65 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -157.76 156.15 31.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.426 -0.807 . . . . 72.12 109.867 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -78.2 -139.81 1.49 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.763 -0.732 . . . . 64.42 111.684 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.634 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 1.7 pp20? -78.62 97.93 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.159 0.98 . . . . 75.21 110.204 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.574 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -111.81 166.41 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.435 -1.257 . . . . 74.23 109.155 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -45.64 128.34 8.36 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.401 0.438 . . . . 75.44 111.909 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.679 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.1 tpt180 -52.54 -52.4 55.06 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.79 -0.641 . . . . 64.14 111.748 -176.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.51 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 71.21 110.995 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.33 93.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 72.52 111.405 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.6 m -62.4 -50.39 71.73 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.79 0.329 . . . . 53.12 110.739 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.51 -47.69 84.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.63 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.61 -42.91 75.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.128 0.489 . . . . 63.52 110.455 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.7 -51.56 67.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.44 -0.8 . . . . 62.33 111.579 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.68 -34.75 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.807 0.299 . . . . 74.32 111.807 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -72.16 -32.56 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.33 0.11 . . . . 74.35 111.1 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.2 mttp . . . . . 0 N--CA 1.462 0.146 0 CA-C-O 120.963 0.411 . . . . 75.4 110.38 172.321 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.18 -0.304 . . . . 53.33 110.18 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.625 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -128.21 145.69 50.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.372 -0.376 . . . . 61.53 110.472 -178.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.899 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 6.6 m-30 -115.57 164.13 14.76 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.325 177.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.16 100.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 72.22 109.501 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 39' ' ' TRP . 14.9 tp -109.34 128.0 54.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.416 -0.587 . . . . 73.41 109.416 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -125.24 132.45 71.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.062 0.458 . . . . 65.21 111.013 -178.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.431 ' H ' ' HB3' ' A' ' 24' ' ' ASP . 28.0 t-20 -92.63 160.37 15.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 61.42 109.129 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.38 -19.72 65.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.26 0.552 . . . . 75.41 110.721 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -102.34 2.19 36.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.894 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 14.6 t70 -119.32 166.6 12.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.048 -0.524 . . . . 72.21 110.838 -171.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -113.08 -35.07 5.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 74.12 110.651 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.504 ' HB2' HG21 ' A' ' 55' ' ' VAL . 46.6 p-80 -166.21 127.92 1.85 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.585 -0.28 . . . . 71.22 111.633 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.6 m -145.71 136.62 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.256 0.551 . . . . 70.05 110.816 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.9 114.65 28.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.488 -0.56 . . . . 62.1 109.488 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -118.07 122.77 30.09 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.097 -173.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 34.4 Cg_endo -65.53 144.34 78.79 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.524 2.149 . . . . 73.54 112.317 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -74.35 -1.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 74.32 111.113 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -96.57 5.05 51.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.754 -0.657 . . . . 63.22 109.503 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.6 163.78 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.719 -0.673 . . . . 74.2 111.007 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -75.98 140.26 41.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 73.54 110.971 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mt -116.61 117.4 38.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 72.42 109.834 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -86.33 -104.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.053 2.502 . . . . 52.44 113.753 -172.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.49 164.98 33.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.791 -0.448 . . . . 62.32 109.791 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.79 29.63 62.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.573 -0.822 . . . . 71.31 111.89 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.543 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.7 p-90 -119.14 156.08 30.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.143 0.497 . . . . 75.23 111.587 -174.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 -137.02 129.81 30.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.554 -0.748 . . . . 71.53 110.274 172.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.13 105.86 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.284 -0.636 . . . . 71.24 109.284 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -77.03 -36.32 24.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 63.24 110.595 -176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.534 ' HE1' ' HB2' ' A' ' 46' ' ' ALA . 64.5 t-80 -154.88 150.26 27.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 72.12 109.672 -177.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.56 -151.05 5.33 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.086 -0.578 . . . . 64.42 112.431 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.899 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.12 98.26 8.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.499 1.143 . . . . 75.21 111.939 -173.053 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.625 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.98 165.87 15.33 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 113.517 -1.674 . . . . 74.23 108.644 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.9 m -43.91 130.38 5.78 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.516 0.51 . . . . 75.44 111.386 -176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -50.9 -49.4 59.51 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.965 -0.562 . . . . 64.14 111.509 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.882 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.21 81.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 72.52 110.651 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' HG22 ' A' ' 55' ' ' VAL . 84.9 m -65.81 -45.84 80.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 53.12 110.63 177.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 74.4 mt -59.23 -49.59 77.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.233 -0.44 . . . . 71.2 110.883 176.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.42 -45.48 88.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.234 0.54 . . . . 63.52 110.61 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.22 -0.9 . . . . 62.33 111.31 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 26' ' ' HIS . 28.7 m -72.58 -34.89 49.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.27 0.47 . . . . 74.32 112.27 -175.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 42.1 mt-10 -72.1 -29.98 64.63 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.912 -0.315 . . . . 74.35 110.643 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 mttp . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.474 175.066 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.356 0 CA-C-O 121.096 0.474 . . . . 53.33 111.453 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.63 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -146.09 145.84 30.69 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.682 -0.69 . . . . 61.53 109.876 -175.462 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.514 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -113.23 158.28 20.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 73.11 110.793 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 t -89.56 97.39 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.852 -0.796 . . . . 72.22 108.852 174.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 39' ' ' TRP . 28.2 tp -108.37 137.01 47.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 73.41 110.631 -174.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.56 145.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.114 -0.698 . . . . 65.21 109.114 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -116.17 -169.56 1.63 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.246 -0.65 . . . . 61.42 109.246 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.8 -43.68 24.81 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.42 -0.512 . . . . 75.41 111.147 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -102.68 -7.05 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.408 . . . . 75.54 110.987 -179.32 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -112.33 126.94 55.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.587 -0.894 . . . . 72.21 108.587 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -103.95 4.1 34.28 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.69 0.626 . . . . 74.12 112.69 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -165.66 127.66 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 71.22 111.369 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -150.21 107.1 3.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.223 -0.444 . . . . 70.05 110.534 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -79.31 98.51 6.71 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.195 -1.039 . . . . 62.1 108.195 171.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -107.47 117.42 55.92 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.371 -0.832 . . . . 74.32 110.544 -169.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 23.0 Cg_exo -64.96 150.65 87.82 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.879 2.386 . . . . 73.54 112.382 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 32' ' ' PHE . 27.7 m -76.34 -169.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.569 . . . . 74.32 110.733 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 67.8 t80 74.11 -49.32 0.67 Allowed 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.589 0.555 . . . . 63.22 111.07 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.28 154.33 41.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.827 0.346 . . . . 74.2 111.168 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.12 143.45 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.89 0.376 . . . . 73.54 111.037 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.0 mt -98.73 140.7 21.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.914 -0.584 . . . . 72.42 110.222 -176.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.18 -159.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.356 2.704 . . . . 52.44 113.083 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.7 148.2 43.01 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.879 0.371 . . . . 62.32 111.215 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.85 29.78 33.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.892 -0.67 . . . . 71.31 112.467 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.58 ' HB2' HD11 ' A' ' 19' ' ' LEU . 29.4 p-90 -87.24 174.62 8.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.31 0.576 . . . . 75.23 112.207 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.5 113.98 9.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.162 -0.926 . . . . 71.53 109.179 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.526 HG23 ' CE3' ' A' ' 39' ' ' TRP . 82.3 t -94.02 120.87 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.697 0.284 . . . . 71.24 110.272 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.9 t -83.25 -40.84 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 63.24 110.712 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -166.59 156.06 11.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.036 -0.529 . . . . 72.12 110.025 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.482 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -72.53 -150.67 1.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 O-C-N 123.496 0.497 . . . . 64.42 112.979 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.514 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.03 97.85 8.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.659 0.742 . . . . 75.21 111.186 -173.468 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.585 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -109.67 166.46 10.88 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.045 -1.434 . . . . 74.23 108.478 173.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 m -44.09 128.14 5.73 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 123.159 0.287 . . . . 75.44 111.626 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.63 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 4.0 tmt_? -52.82 -47.55 67.57 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.0 -0.546 . . . . 64.14 111.014 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.55 88.88 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.718 -0.673 . . . . 71.21 111.1 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.43 -30.81 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.549 -0.296 . . . . 72.52 110.813 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.487 ' HB3' HD11 ' A' ' 28' ' ' LEU . 78.1 m -69.61 -48.08 61.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.435 -0.348 . . . . 53.12 110.109 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -57.15 -44.46 83.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.348 -0.387 . . . . 71.2 110.535 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.21 -44.71 75.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.256 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -62.48 -51.42 67.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.098 -0.955 . . . . 62.33 111.156 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.71 -34.89 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.11 0.411 . . . . 74.32 112.11 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -72.3 -39.7 68.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.604 0.24 . . . . 74.35 111.199 -179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt . . . . . 0 C--N 1.328 -0.346 0 CA-C-O 120.615 0.245 . . . . 75.4 111.545 178.372 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.786 -0.45 . . . . 53.33 109.786 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.824 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 1.3 p90 -123.6 145.53 48.85 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.306 -0.407 . . . . 61.53 110.269 -176.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -117.81 157.11 27.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.073 -0.512 . . . . 73.11 109.778 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.858 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 90.4 t -91.35 97.33 7.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.79 0.805 . . . . 72.22 108.972 173.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 39' ' ' TRP . 40.6 tp -103.82 153.93 20.17 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.886 -1.052 . . . . 73.41 109.338 -176.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.41 130.26 17.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.348 -0.541 . . . . 65.21 110.265 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.523 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 90.9 m-20 -84.09 150.51 25.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.444 -0.947 . . . . 61.42 108.444 172.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.45 -27.09 68.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.104 0.478 . . . . 75.41 110.82 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.48 6.38 48.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.819 -0.628 . . . . 75.54 111.744 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 3.5 t70 -117.04 -173.0 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.607 0.241 . . . . 72.21 110.428 -175.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -111.1 -49.79 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 74.12 110.632 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -165.96 128.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.457 -0.338 . . . . 71.22 110.572 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 m -125.85 104.18 8.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.07 0.462 . . . . 70.05 111.119 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.96 98.74 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.764 -0.828 . . . . 62.1 108.764 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 71.9 t-105 -115.07 116.07 42.66 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 74.32 110.859 -169.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.824 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 7.6 Cg_exo -73.0 140.87 32.12 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.836 2.357 . . . . 73.54 111.618 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.74 -7.33 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.028 0.442 . . . . 74.32 111.228 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.13 -24.99 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.518 -0.765 . . . . 63.22 109.575 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.19 148.54 24.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.76 -0.655 . . . . 74.2 109.723 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -73.18 133.64 44.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.859 0.361 . . . . 73.54 111.211 -176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.5 mt -87.36 127.87 57.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 72.42 111.0 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.51 -149.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.468 2.779 . . . . 52.44 111.777 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.97 156.05 46.89 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 122.182 -0.324 . . . . 62.32 110.274 173.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 29.91 5.2 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.91 -0.662 . . . . 71.31 111.662 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.488 ' HB2' HD11 ' A' ' 19' ' ' LEU . 45.0 p-90 -129.74 -179.97 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.311 0.577 . . . . 75.23 111.912 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -150.0 130.77 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.062 -0.972 . . . . 71.53 109.372 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.455 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 95.3 t -87.69 120.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.474 -0.565 . . . . 71.24 109.474 176.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.508 HG23 HG12 ' A' ' 18' ' ' VAL . 1.7 m -105.78 -2.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.507 -0.315 . . . . 63.24 111.814 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.858 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 34.3 t60 -170.96 139.9 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.684 -0.487 . . . . 72.12 109.684 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.97 -153.12 25.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 64.42 112.802 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -84.12 98.53 9.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 122.604 1.193 . . . . 75.21 111.925 -176.743 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.604 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.59 166.07 24.81 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.112 -1.404 . . . . 74.23 108.023 172.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -37.23 127.82 0.99 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.034 0.834 . . . . 75.44 112.3 -173.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.441 HH11 ' HD3' ' A' ' 48' ' ' ARG . 0.9 OUTLIER -64.24 -37.47 87.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 64.14 110.536 -172.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.46 90.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 71.21 111.098 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.54 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 72.52 110.604 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.425 ' HB3' HG22 ' A' ' 18' ' ' VAL . 72.8 m -65.52 -43.94 88.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.1 -0.5 . . . . 53.12 110.806 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.44 -44.59 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 71.2 109.977 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.19 -40.39 95.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.474 -0.33 . . . . 63.52 110.532 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -60.09 -50.69 72.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.123 -0.489 . . . . 62.33 111.165 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.71 -35.29 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 74.32 111.372 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -72.73 -29.76 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.846 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 mttp . . . . . 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 75.4 110.777 174.751 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.303 0 CA-C-O 120.928 0.394 . . . . 53.33 110.327 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -131.71 145.56 51.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.919 -0.582 . . . . 61.53 110.286 -177.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -114.8 162.25 17.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.373 . . . . 73.11 110.742 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -90.43 97.18 6.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.964 -0.754 . . . . 72.22 108.964 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 39' ' ' TRP . 29.9 tp -111.07 129.03 56.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 73.41 111.185 -171.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -120.75 143.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.82 -0.807 . . . . 65.21 108.82 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.913 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 39.4 m-80 -120.33 -168.91 1.71 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.724 0.297 . . . . 61.42 110.513 -177.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -67.25 -45.02 77.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.123 -0.489 . . . . 75.41 111.224 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.87 -7.15 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.651 0.263 . . . . 75.54 111.629 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.913 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 15.1 m-20 -92.46 106.01 18.08 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.66 -0.496 . . . . 72.21 109.66 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -66.08 -43.49 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.5 -0.773 . . . . 74.12 111.772 -169.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.774 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 37.1 p-80 -160.21 128.28 4.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.958 0.409 . . . . 71.22 110.688 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 m -143.42 135.69 27.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.066 0.46 . . . . 70.05 111.08 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.5 mm? -89.29 102.55 15.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.793 -0.817 . . . . 62.1 108.793 172.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -107.41 126.26 30.42 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.814 -0.63 . . . . 74.32 110.952 -170.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -63.05 131.04 31.0 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.853 2.369 . . . . 73.54 112.222 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.69 -24.63 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.54 -0.755 . . . . 74.32 111.247 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -86.97 6.45 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 63.22 111.251 -178.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.56 131.63 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.228 -0.442 . . . . 74.2 109.922 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -57.08 127.5 32.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 73.54 111.167 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mt -92.8 132.27 31.63 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.228 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.18 -151.27 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.688 2.925 . . . . 52.44 112.511 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.32 142.63 51.08 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.933 -0.48 . . . . 62.32 110.344 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.53 29.9 3.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 71.31 111.521 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.543 ' HB2' HD11 ' A' ' 19' ' ' LEU . 53.5 p-90 -122.78 172.33 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.52 0.676 . . . . 75.23 111.905 -173.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -148.29 125.5 11.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.069 -0.969 . . . . 71.53 109.129 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.496 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 92.9 t -88.34 110.04 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.917 -0.401 . . . . 71.24 109.917 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -76.24 -37.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.057 0.456 . . . . 63.24 110.285 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -153.28 149.9 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.854 -0.612 . . . . 72.12 110.498 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.68 -157.3 5.53 Favored Glycine 0 N--CA 1.449 -0.463 0 O-C-N 123.719 0.637 . . . . 64.42 112.522 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.6 pt-20 -77.17 97.77 4.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.799 0.809 . . . . 75.21 111.15 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.538 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.64 166.52 13.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.477 -1.238 . . . . 74.23 109.148 177.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 m -37.88 128.21 1.22 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.625 0.578 . . . . 75.44 112.438 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.599 HH11 HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -56.4 -46.95 79.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.734 -0.667 . . . . 64.14 111.616 -175.249 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.5 98.77 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.062 0.458 . . . . 71.21 110.755 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.673 -0.694 . . . . 72.52 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.527 ' HB3' HD11 ' A' ' 28' ' ' LEU . 85.4 m -65.19 -44.86 87.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 53.12 111.279 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.599 HD21 HH11 ' A' ' 48' ' ' ARG . 4.3 mm? -60.04 -47.96 83.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.671 0.272 . . . . 71.2 110.956 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -55.76 -46.15 77.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.722 0.772 . . . . 63.52 109.776 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.72 -51.6 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.593 -1.185 . . . . 62.33 111.456 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.774 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.8 m -67.16 -34.72 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 74.32 111.762 -174.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.91 -46.5 57.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.553 -0.294 . . . . 74.35 110.622 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 84.9 mttt . . . . . 0 N--CA 1.463 0.183 0 CA-C-O 120.743 0.306 . . . . 75.4 111.702 179.627 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' HG11 ' A' ' 31' ' ' VAL . . . . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 121.141 0.496 . . . . 53.33 111.303 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -136.3 148.83 48.14 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.64 -0.709 . . . . 61.53 109.38 -177.106 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.0 m-85 -113.56 158.47 20.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 120.838 0.351 . . . . 73.11 110.735 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -83.97 97.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.258 -0.645 . . . . 72.22 109.258 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 39' ' ' TRP . 25.5 tp -108.6 128.31 54.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.799 -173.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.8 t -117.35 130.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.044 -0.354 . . . . 65.21 110.044 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.735 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.5 t30 -99.76 154.57 18.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.763 -0.653 . . . . 61.42 109.336 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.44 -40.74 79.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 75.41 111.261 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.88 25.76 6.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.932 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.735 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 17.4 t70 -134.43 168.03 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.682 -0.488 . . . . 72.21 109.682 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -108.2 -41.58 4.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.964 0.412 . . . . 74.12 110.418 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -165.65 127.53 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.848 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.7 m -140.95 142.25 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.949 -0.569 . . . . 70.05 110.912 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.754 ' HG ' ' HG2' ' A' ' 48' ' ' ARG . 4.4 mm? -107.53 102.8 12.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.339 -0.615 . . . . 62.1 109.339 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.2 t-105 -107.76 130.12 23.24 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 74.32 110.518 -171.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 33.1 Cg_exo -58.94 148.76 83.04 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.102 2.535 . . . . 73.54 113.16 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.449 HG13 ' HD2' ' A' ' 32' ' ' PHE . 12.8 p -77.11 149.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 74.32 109.93 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.449 ' HD2' HG13 ' A' ' 31' ' ' VAL . 84.5 m-85 71.13 5.91 5.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.049 0.54 . . . . 63.22 111.245 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.06 156.66 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 136.23 48.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.743 0.306 . . . . 73.54 110.409 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.86 131.17 24.26 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 72.42 109.956 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.4 -163.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.066 2.511 . . . . 52.44 112.459 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.83 159.81 15.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.463 -0.335 . . . . 62.32 110.671 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.02 29.49 31.24 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.285 -0.484 . . . . 71.31 112.082 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.587 ' HB2' HD11 ' A' ' 19' ' ' LEU . 68.4 p-90 -104.5 161.86 13.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.232 0.539 . . . . 75.23 111.51 -174.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -148.77 117.28 6.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.322 -0.854 . . . . 71.53 109.495 173.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.461 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 97.6 t -84.09 118.23 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.458 -0.337 . . . . 71.24 110.234 178.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.12 -36.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.275 0.56 . . . . 63.24 110.271 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -161.33 155.56 22.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.058 -0.719 . . . . 72.12 109.058 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.539 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -69.12 -132.0 0.06 OUTLIER Glycine 0 C--N 1.334 0.441 0 O-C-N 123.382 0.426 . . . . 64.42 113.274 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.592 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.22 97.56 11.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.042 1.401 . . . . 75.21 110.95 -173.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.47 152.85 37.44 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 113.249 -1.796 . . . . 74.23 109.14 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 m -46.34 128.39 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.698 0.623 . . . . 75.44 111.585 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.754 ' HG2' ' HG ' ' A' ' 28' ' ' LEU . 4.8 tmm_? -58.79 -37.93 77.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.526 -0.761 . . . . 64.14 110.853 -172.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.66 89.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 71.21 111.046 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.3 -33.05 75.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.366 -0.379 . . . . 72.52 111.15 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.438 ' CB ' HD11 ' A' ' 28' ' ' LEU . 67.0 m -66.61 -46.37 76.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.327 -0.397 . . . . 53.12 110.469 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.02 -45.15 87.39 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.357 -0.383 . . . . 71.2 110.207 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.51 -48.03 75.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 63.52 110.58 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 19.2 t80 -57.07 -51.8 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.64 . . . . 62.33 111.726 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.19 -39.52 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.703 -0.399 . . . . 74.32 111.355 -174.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.29 -30.66 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.432 -0.349 . . . . 74.35 111.472 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mttp . . . . . 0 C--N 1.331 -0.201 0 CA-C-O 120.846 0.355 . . . . 75.4 111.332 176.416 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.987 -0.375 . . . . 53.33 109.987 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.572 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.2 p90 -119.42 145.51 46.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.7 0.286 . . . . 61.53 110.832 -176.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.7 m-85 -119.79 157.03 29.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.309 178.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.32 102.12 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.344 -0.613 . . . . 72.22 109.344 174.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.4 tp -110.02 138.83 45.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.791 -0.641 . . . . 73.41 110.597 -173.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.613 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 93.3 t -108.7 140.39 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.883 -0.599 . . . . 65.21 109.593 173.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 26.8 t-20 -103.76 159.63 15.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.095 -0.502 . . . . 61.42 110.207 -177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.64 -45.65 48.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 75.41 112.167 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -114.09 -7.11 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.612 0.597 . . . . 75.54 112.612 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 11.4 t70 -111.05 151.97 27.42 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.236 -0.585 . . . . 72.21 110.844 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -72.54 -52.28 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 74.12 112.163 -171.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -157.35 139.03 14.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.99 0.424 . . . . 71.22 111.798 -173.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 m -147.3 132.23 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.096 -0.502 . . . . 70.05 110.287 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.6 mm? -82.36 111.37 18.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.176 -0.676 . . . . 62.1 109.176 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -107.36 116.07 58.6 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.895 -0.593 . . . . 74.32 110.558 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_exo -70.05 139.22 38.7 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.683 2.256 . . . . 73.54 112.106 177.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.68 -2.57 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.235 0.541 . . . . 74.32 110.48 177.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -64.83 -25.84 68.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.455 -0.793 . . . . 63.22 109.977 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.04 158.03 19.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.562 . . . . 74.2 110.073 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.66 143.49 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 73.54 111.206 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.35 115.33 57.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 72.42 109.535 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 67.2 Cg_endo -83.65 -105.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.911 2.407 . . . . 52.44 113.802 -171.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.77 161.55 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.122 -0.325 . . . . 62.32 110.122 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.93 29.65 72.45 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.966 -0.854 . . . . 71.31 110.966 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TRP . . . . . 0.546 ' HB2' HD11 ' A' ' 19' ' ' LEU . 65.6 p-90 -105.97 148.05 28.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.103 -0.549 . . . . 75.23 111.082 -175.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.613 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 42.2 ttt-85 -135.45 114.22 11.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.836 -0.62 . . . . 71.53 109.445 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -86.81 113.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.76 0.314 . . . . 71.24 110.198 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -92.21 -33.66 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.511 . . . . 63.24 110.697 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.508 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 39.9 t-80 -152.49 145.58 24.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.082 -0.508 . . . . 72.12 109.985 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.68 -151.53 16.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.865 -0.683 . . . . 64.42 112.601 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -88.98 98.02 11.53 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 122.886 1.327 . . . . 75.21 111.614 -173.236 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -135.49 166.32 23.46 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 112.842 -1.981 . . . . 74.23 108.333 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m -31.48 127.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.343 1.027 . . . . 75.44 113.086 -173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.3 tmm_? -64.04 -37.17 86.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.543 -0.753 . . . . 64.14 110.712 -173.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.36 84.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.599 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.54 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.539 . . . . 72.52 110.676 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' LEU . 72.8 m -62.53 -50.99 69.18 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.096 -0.502 . . . . 53.12 110.937 177.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 6.8 mp -54.73 -49.43 70.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.029 -0.532 . . . . 71.2 111.238 176.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.2 -41.9 97.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 63.52 110.641 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.88 -45.65 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 62.33 110.668 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.26 -34.47 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.603 -0.439 . . . . 74.32 111.362 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 45.5 mt-10 -67.35 -29.5 69.06 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.682 0.253 . . . . 74.35 111.682 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mttp . . . . . 0 C--N 1.324 -0.509 0 N-CA-C 113.249 0.833 . . . . 75.4 113.249 179.522 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.832 0 N-CA-C 112.056 -0.418 . . . . 51.44 112.056 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -109.49 130.23 55.51 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.834 0.349 . . . . 75.52 110.636 -179.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -106.08 7.27 31.71 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.362 0.601 . . . . 75.34 109.675 177.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 48.5 tpp -59.99 106.98 0.56 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.393 -0.821 . . . . 71.13 110.493 178.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.3 m -95.9 88.81 5.03 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.117 -0.492 . . . . 73.33 110.125 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -83.06 -32.27 26.91 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.944 -0.571 . . . . 73.13 111.438 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -117.82 99.25 52.13 Favored Pre-proline 0 C--N 1.326 -0.415 0 C-N-CA 120.663 -0.415 . . . . 71.44 110.62 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_endo -94.34 -14.51 0.8 Allowed 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 123.14 2.56 . . . . 72.03 111.976 173.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 -110.85 99.09 8.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.904 -0.589 . . . . 74.45 110.142 -177.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.23 -52.59 11.93 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.03 0.443 . . . . 73.42 109.85 178.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -157.45 144.31 18.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.725 -0.67 . . . . 71.44 109.197 178.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -84.13 119.23 24.74 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.917 0.389 . . . . 73.51 110.712 -177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -100.19 -66.39 0.91 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.391 0.515 . . . . 55.12 112.391 -173.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -125.83 -137.35 4.66 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.187 -1.006 . . . . 51.13 113.357 -172.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.46 167.39 7.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.032 0.444 . . . . 53.33 111.451 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.646 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.8 OUTLIER -154.71 146.65 23.52 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.937 -0.574 . . . . 61.53 110.105 -175.744 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -120.71 158.16 28.08 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.261 -0.427 . . . . 73.11 110.307 177.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 66.5 t -90.41 98.8 8.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 N-CA-C 108.787 -0.82 . . . . 72.22 108.787 172.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 39' ' ' TRP . 27.8 tp -113.48 128.3 56.4 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.672 -0.694 . . . . 73.41 110.495 -172.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG22 ' HA ' ' A' ' 26' ' ' HIS . 47.0 t -129.12 130.37 68.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.668 -0.493 . . . . 65.21 109.668 176.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.546 ' ND2' ' HB2' ' A' ' 24' ' ' ASP . 10.3 p30 -105.09 173.16 6.42 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.564 -0.532 . . . . 61.42 109.564 176.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -63.21 -24.5 67.91 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 112.023 0.379 . . . . 75.41 112.023 -172.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -101.79 10.79 39.62 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 111.707 0.262 . . . . 75.54 111.707 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.546 ' HB2' ' ND2' ' A' ' 21' ' ' ASN . 6.8 t70 -116.0 -174.35 2.52 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 110.2 -0.296 . . . . 72.21 110.2 -177.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.49 -50.0 1.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.718 -0.219 . . . . 74.12 110.787 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.569 ' HA ' HG22 ' A' ' 20' ' ' VAL . 45.8 p-80 -165.65 127.79 2.02 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.388 . . . . 71.22 109.954 172.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.3 m -145.0 145.16 31.39 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.44 0.638 . . . . 70.05 111.957 -176.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.533 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -98.54 116.03 29.88 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.396 -0.82 . . . . 62.1 109.084 172.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.44 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 66.8 t-105 -107.48 115.99 58.54 Favored Pre-proline 0 C--N 1.318 -0.802 0 CA-C-N 116.231 -0.441 . . . . 74.32 110.128 -175.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 23.5 Cg_exo -65.1 131.97 30.37 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.782 2.322 . . . . 73.54 112.526 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.7 t -75.97 77.75 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 122.069 0.938 . . . . 74.32 109.432 177.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -161.53 -33.09 0.05 OUTLIER 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 114.254 -1.339 . . . . 63.22 108.014 -177.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.86 163.75 13.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.097 -0.956 . . . . 74.2 109.153 171.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -92.27 143.56 26.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.907 0.384 . . . . 73.54 110.691 -177.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.418 HG23 HD21 ' A' ' 19' ' ' LEU . 56.8 mt -87.0 124.73 68.31 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 72.42 109.926 178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -78.75 -106.21 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.825 0 C-N-CA 122.864 2.376 . . . . 52.44 113.671 -174.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.02 160.36 43.69 Favored 'General case' 0 C--O 1.232 0.151 0 O-C-N 122.04 -0.412 . . . . 62.32 110.645 -174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.76 29.63 63.0 Favored Glycine 0 C--N 1.332 0.339 0 C-N-CA 120.862 -0.685 . . . . 71.31 112.075 179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.513 ' HB2' HD11 ' A' ' 19' ' ' LEU . 52.7 p-90 -110.05 174.69 5.75 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.416 0.627 . . . . 75.23 111.99 -174.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -153.5 127.97 9.28 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.028 -0.987 . . . . 71.53 109.378 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 99.9 t -88.59 118.96 35.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 120.875 0.369 . . . . 71.24 110.205 178.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.15 -26.55 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.218 -0.446 . . . . 63.24 110.503 -179.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.423 ' HB3' ' CG2' ' A' ' 18' ' ' VAL . 66.0 t60 -165.1 144.84 6.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.05 -0.523 . . . . 72.12 109.914 -178.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.35 -164.49 40.2 Favored Glycine 0 C--N 1.33 0.197 0 C-N-CA 120.788 -0.72 . . . . 64.42 112.996 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.438 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 1.1 pp20? -74.18 98.72 3.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 122.201 1.0 . . . . 75.21 111.726 -177.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.646 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -134.44 166.04 23.78 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 114.434 -1.257 . . . . 74.23 108.268 172.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.1 m -30.89 128.31 0.14 Allowed 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 113.495 0.924 . . . . 75.44 113.495 -173.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.502 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 9.5 tpt180 -54.33 -46.89 72.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.498 -0.774 . . . . 64.14 111.285 -176.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.01 73.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.962 -0.563 . . . . 71.21 110.931 -179.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.56 -39.49 58.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.91 -0.587 . . . . 72.52 111.127 -178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.533 ' HB3' HD11 ' A' ' 28' ' ' LEU . 71.4 m -68.5 -44.43 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.332 -0.395 . . . . 53.12 110.765 178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.82 -46.24 90.36 Favored 'General case' 0 CA--C 1.517 -0.304 0 N-CA-C 110.175 -0.306 . . . . 71.2 110.175 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.653 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 25.9 t70 -55.79 -53.31 58.23 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.254 -0.43 . . . . 63.52 110.082 177.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.417 ' HE1' ' HG3' ' A' ' 65' ' ' LYS . 77.0 t80 -54.84 -50.96 67.35 Favored 'General case' 0 CA--C 1.534 0.357 0 CA-C-N 116.29 -0.414 . . . . 62.33 111.939 -178.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 24.4 m -65.71 -37.57 80.26 Favored 'Isoleucine or valine' 0 C--O 1.234 0.267 0 C-N-CA 120.857 -0.337 . . . . 74.32 111.398 -176.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -72.47 -34.34 67.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.356 -0.384 . . . . 74.35 110.722 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.653 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 20.5 mtpp -58.68 -49.19 78.46 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 109.793 -0.447 . . . . 75.4 109.793 173.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -68.02 -31.5 71.22 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.165 -0.471 . . . . 73.12 111.105 -177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -69.35 -29.53 67.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.157 0.503 . . . . 74.44 110.122 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 22.1 m -86.87 -48.9 7.79 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.661 -0.699 . . . . 72.14 110.527 178.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -121.01 112.92 19.34 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.38 -0.827 . . . . 35.34 109.712 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 63' ' ' ARG . 3.5 mm? -76.37 76.21 3.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.143 -0.48 . . . . 71.54 111.036 -174.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 62' ' ' LEU . 25.3 mtp180 -147.74 93.53 4.53 Favored Pre-proline 0 C--N 1.325 -0.46 0 CA-C-N 115.613 -0.722 . . . . 73.24 109.811 176.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_endo -68.67 142.77 54.07 Favored 'Trans proline' 0 C--O 1.233 0.237 0 C-N-CA 122.764 2.309 . . . . 50.3 111.908 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' A' ' 65' ' ' LYS . 27.3 mtpp -83.18 76.67 9.85 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.793 0.33 . . . . 73.1 111.157 -176.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.9 t 65.18 100.66 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.188 -0.914 . . . . 53.54 111.598 176.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 pp -92.31 -14.43 28.81 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.37 0.605 . . . . 63.32 109.763 176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 57.0 ttp180 -97.98 149.02 22.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.402 -0.817 . . . . 73.4 109.412 175.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.6 t70 61.1 72.17 0.53 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.733 0.778 . . . . 51.34 110.568 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -135.1 -19.82 1.72 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.269 -0.878 . . . . 74.14 110.339 178.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.1 ptt? -143.76 143.95 31.6 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.554 -0.748 . . . . 51.33 109.259 176.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.7 t -96.5 102.36 13.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-O 121.053 0.454 . . . . 74.04 111.0 -175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -79.15 80.85 5.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.856 0.836 . . . . 71.22 109.881 176.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 C--O 1.246 0.869 0 CA-C-N 115.299 -0.864 . . . . 62.35 109.639 -175.154 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.803 0 N-CA-C 110.835 -0.906 . . . . 51.44 110.835 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.2 m -92.75 21.47 5.53 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 112.853 0.686 . . . . 75.52 112.853 -170.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -93.1 110.55 22.04 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.048 -0.723 . . . . 75.34 109.048 172.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -82.94 68.53 9.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.624 0.726 . . . . 71.13 111.427 -175.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.3 m -156.55 114.15 3.21 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.445 -0.798 . . . . 73.33 109.685 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.3 p -73.54 110.19 7.64 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.181 -0.463 . . . . 73.13 110.566 178.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.443 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 3.1 m-20 -59.82 115.98 15.06 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 115.633 -0.712 . . . . 71.44 111.792 -175.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.467 ' HD2' ' CD2' ' A' ' 9' ' ' PHE . 4.6 Cg_endo -87.53 0.62 7.23 Favored 'Trans proline' 0 N--CA 1.456 -0.714 0 C-N-CA 123.162 2.574 . . . . 72.03 111.727 175.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' CD2' ' HD2' ' A' ' 8' ' ' PRO . 42.0 p90 -132.64 162.8 30.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.923 -0.581 . . . . 74.45 110.353 -178.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -81.2 162.31 23.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.13 -0.486 . . . . 73.42 110.408 179.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -83.01 81.15 8.8 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.899 0.857 . . . . 71.44 110.651 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -67.44 101.44 0.97 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.457 -0.792 . . . . 73.51 109.166 174.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 p30 -120.53 164.13 16.91 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.952 -0.567 . . . . 55.12 111.309 -170.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 68.29 -156.83 52.95 Favored Glycine 0 N--CA 1.446 -0.68 0 CA-C-N 115.402 -0.817 . . . . 51.13 112.264 -178.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -95.63 174.95 6.73 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.909 -0.404 . . . . 53.33 109.909 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.529 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.4 OUTLIER -139.5 145.68 39.03 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.846 -0.427 . . . . 61.53 109.846 177.165 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.463 ' CE2' ' HA2' ' A' ' 44' ' ' GLY . 0.5 OUTLIER -110.22 157.56 19.31 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.712 0.292 . . . . 73.11 110.737 -178.361 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.453 HG12 ' HB ' ' A' ' 42' ' ' VAL . 17.4 t -88.12 97.51 6.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.136 -0.69 . . . . 72.22 109.136 175.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.548 HD11 ' HB2' ' A' ' 39' ' ' TRP . 15.7 tp -114.73 164.73 13.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 116.196 -0.456 . . . . 73.41 109.838 -173.422 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.24 130.58 6.8 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 120.838 0.352 . . . . 65.21 110.059 170.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -90.02 151.23 21.76 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.073 -0.512 . . . . 61.42 110.076 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -50.69 -38.19 45.52 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.773 -0.649 . . . . 75.41 112.246 -178.375 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -101.81 5.49 41.15 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 111.808 0.299 . . . . 75.54 111.808 -175.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -117.95 160.7 21.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 72.21 111.174 -175.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -80.06 -45.01 19.05 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.166 -0.47 . . . . 74.12 111.273 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -165.68 127.94 2.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.778 0.323 . . . . 71.22 110.855 -179.072 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.3 m -120.67 116.05 24.54 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.121 0.486 . . . . 70.05 111.612 -171.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -92.5 102.28 14.73 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.29 0.567 . . . . 62.1 109.631 173.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 65.0 t-105 -107.41 120.14 48.53 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 115.275 -0.875 . . . . 74.32 110.615 -171.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.52 134.3 40.75 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 123.093 2.528 . . . . 73.54 112.65 -179.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 16.1 t -81.58 76.89 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.495 -0.775 . . . . 74.32 109.239 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -159.17 -36.48 0.06 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.987 -1.006 . . . . 63.22 109.489 -175.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -101.53 163.57 12.2 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 74.2 109.853 176.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -67.91 143.3 55.74 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.441 -0.345 . . . . 73.54 110.871 -177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 66.7 mt -79.68 123.29 84.09 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 110.034 -0.358 . . . . 72.42 110.034 177.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -69.44 -155.93 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 123.21 2.606 . . . . 52.44 112.258 179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -108.43 173.83 6.14 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.089 -0.337 . . . . 62.32 110.089 175.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.26 29.97 69.84 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.721 -0.752 . . . . 71.31 112.039 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.548 ' HB2' HD11 ' A' ' 19' ' ' LEU . 59.5 p-90 -108.53 147.61 31.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.189 0.519 . . . . 75.23 111.798 -173.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 40' ' ' ARG . 38.6 ttt180 -135.63 129.16 32.4 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 108.803 -0.814 . . . . 71.53 108.803 167.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 96.0 t -88.56 119.0 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 120.881 0.372 . . . . 71.24 110.059 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.453 ' HB ' HG12 ' A' ' 18' ' ' VAL . 40.3 t -83.6 -41.76 16.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 115.919 -0.582 . . . . 63.24 109.685 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.61 169.2 20.55 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.757 -0.656 . . . . 72.12 109.887 178.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.463 ' HA2' ' CE2' ' A' ' 17' ' ' PHE . . . -80.27 -141.63 2.73 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.932 -0.652 . . . . 64.42 113.099 -175.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.503 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -88.44 98.08 11.42 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 122.068 0.937 . . . . 75.21 110.392 -178.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.529 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.65 166.0 15.58 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 113.841 -1.527 . . . . 74.23 109.429 177.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.403 ' HB2' ' HB3' ' A' ' 50' ' ' ALA . 7.7 m -44.76 128.53 6.82 Favored 'General case' 0 CA--C 1.533 0.29 0 O-C-N 123.485 0.49 . . . . 75.44 111.227 -178.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -54.66 -54.05 46.81 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-N 116.155 -0.475 . . . . 64.14 111.46 -173.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.41 77.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.867 -0.606 . . . . 71.21 111.028 179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.403 ' HB3' ' HB2' ' A' ' 47' ' ' SER . . . -69.64 -35.25 75.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.276 -0.42 . . . . 72.52 110.954 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.406 ' SG ' HG22 ' A' ' 18' ' ' VAL . 64.5 m -64.23 -51.09 65.34 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 110.108 -0.331 . . . . 53.12 110.108 176.249 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 96.4 mt -55.66 -47.68 76.27 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-N 115.806 -0.634 . . . . 71.2 110.195 175.147 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -55.51 -52.96 61.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.255 -0.884 . . . . 63.52 110.988 179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -58.27 -51.27 70.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.814 -0.63 . . . . 62.33 111.809 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 51' ' ' CYS . 28.8 m -66.08 -41.35 89.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.68 -0.408 . . . . 74.32 111.659 -174.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 18.5 mt-10 -72.64 -31.23 64.95 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.812 -0.355 . . . . 74.35 111.562 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.946 ' HE3' ' HA ' ' A' ' 69' ' ' ASP . 42.0 mttp -67.89 -25.99 65.78 Favored 'General case' 0 N--CA 1.464 0.257 0 N-CA-C 111.765 0.283 . . . . 75.4 111.765 177.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.4 m-80 -69.4 -30.16 68.07 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.805 -0.443 . . . . 73.12 109.805 174.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.7 t90 53.09 89.82 0.03 OUTLIER 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.015 -0.993 . . . . 74.44 112.748 171.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 14.5 t -112.73 -3.64 14.2 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.963 0.887 . . . . 72.14 108.938 175.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -97.89 -157.21 0.58 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.61 -1.177 . . . . 35.34 110.719 -177.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.7 mp -126.81 13.72 7.42 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.395 -0.366 . . . . 71.54 110.701 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 46.8 ttm105 -96.52 117.5 66.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.127 -0.488 . . . . 73.24 110.289 -175.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -89.24 100.16 0.35 Allowed 'Trans proline' 0 N--CA 1.45 -1.082 0 C-N-CA 122.657 2.238 . . . . 50.3 112.743 -179.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -125.45 131.08 52.94 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.883 -0.784 . . . . 73.1 108.883 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.537 ' HA ' ' OD1' ' A' ' 69' ' ' ASP . 66.0 m -150.14 121.24 7.73 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.386 0.612 . . . . 53.54 111.948 -179.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.765 ' HG ' ' H ' ' A' ' 68' ' ' ARG . 0.5 OUTLIER -122.26 -65.3 1.12 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.329 -0.85 . . . . 63.32 109.623 174.86 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.765 ' H ' ' HG ' ' A' ' 67' ' ' LEU . 1.5 mpp_? -130.42 40.37 3.53 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 108.933 -0.765 . . . . 73.4 108.933 173.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.946 ' HA ' ' HE3' ' A' ' 57' ' ' LYS . 7.8 m-20 -84.72 89.51 7.52 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.602 -0.726 . . . . 51.34 111.672 -172.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.38 126.38 44.91 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.486 -0.779 . . . . 74.14 109.667 175.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 98.8 mmm -80.54 123.44 28.1 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.384 -0.371 . . . . 51.33 110.001 177.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 56.5 t -71.45 112.97 7.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.834 -0.621 . . . . 74.04 111.066 -177.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -138.36 103.23 4.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.968 -0.56 . . . . 71.22 109.689 176.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.079 -0.962 . . . . 62.35 109.855 -178.34 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.83 0 N-CA-C 111.98 -0.448 . . . . 51.44 111.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 m -66.69 141.8 57.65 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 110.149 -0.315 . . . . 75.52 110.149 178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.4 p80 -152.76 152.23 31.41 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.796 0.332 . . . . 75.34 110.973 -177.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -105.58 -58.72 1.86 Allowed 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 108.851 -0.796 . . . . 71.13 108.851 171.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.7 p -81.91 -178.43 6.99 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.646 -0.707 . . . . 73.33 109.367 171.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.0 t -159.05 137.54 10.81 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.972 0.415 . . . . 73.13 110.669 179.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 37.8 t30 -120.55 121.55 29.1 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.858 -0.61 . . . . 71.44 109.803 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.98 -44.42 47.36 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 123.15 2.567 . . . . 72.03 113.498 -178.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.6 p90 -132.58 118.54 19.33 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.369 0.605 . . . . 74.45 111.562 -177.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -96.48 150.26 20.82 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.454 -0.794 . . . . 73.42 109.7 178.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.81 -16.71 22.74 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.021 0.378 . . . . 71.44 112.021 -176.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -88.44 -67.52 0.83 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.266 0.555 . . . . 73.51 110.035 -176.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.0 m-80 -95.21 -5.46 43.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.705 -0.679 . . . . 55.12 110.436 -177.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -93.34 83.44 1.07 Allowed Glycine 0 N--CA 1.442 -0.907 0 C-N-CA 120.581 -0.818 . . . . 51.13 112.313 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' HB3' HG22 ' A' ' 31' ' ' VAL . . . -71.87 107.63 4.73 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 109.234 -0.654 . . . . 53.33 109.234 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.596 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -94.81 145.85 24.6 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.037 0.446 . . . . 61.53 111.723 -172.641 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.608 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 2.2 m-85 -111.79 166.37 11.25 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.38 -0.827 . . . . 73.11 109.871 174.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 36.0 t -91.64 97.48 7.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 N-CA-C 109.309 -0.626 . . . . 72.22 109.309 175.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD11 ' HB2' ' A' ' 39' ' ' TRP . 29.4 tp -108.63 128.4 54.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.78 0.324 . . . . 73.41 110.612 -174.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 88.7 t -114.62 143.9 23.35 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 N-CA-C 108.869 -0.789 . . . . 65.21 108.869 173.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.499 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 28.6 m-80 -105.06 174.11 6.02 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.988 -0.375 . . . . 61.42 109.988 -176.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -78.9 -36.01 42.64 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.216 0.532 . . . . 75.41 109.884 176.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -103.16 -6.59 22.03 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.687 -0.688 . . . . 75.54 111.73 -178.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 18.8 t70 -130.71 145.13 51.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.622 0.248 . . . . 72.21 110.699 -176.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.425 ' HG3' ' HD1' ' A' ' 59' ' ' TRP . 13.2 mm100 -80.19 -25.93 39.46 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 113.778 1.029 . . . . 74.12 113.778 -171.408 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.527 ' HB3' ' HB ' ' A' ' 55' ' ' VAL . 19.2 p80 -165.69 131.82 2.62 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.084 0.772 . . . . 71.22 113.084 -173.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 50.2 m -141.02 121.89 14.45 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.442 -0.799 . . . . 70.05 110.201 173.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.34 93.51 9.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.663 -0.865 . . . . 62.1 108.663 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.1 t-105 -107.7 125.83 31.3 Favored Pre-proline 0 C--N 1.325 -0.489 0 CA-C-N 115.316 -0.856 . . . . 74.32 111.045 -167.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.596 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.0 Cg_endo -73.81 141.11 29.98 Favored 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.644 2.229 . . . . 73.54 112.767 178.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.446 HG22 ' HB3' ' A' ' 15' ' ' ALA . 29.8 m -77.95 8.3 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.838 -0.619 . . . . 74.32 111.617 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -92.86 6.13 48.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.516 0.674 . . . . 63.22 109.329 178.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -131.63 163.78 27.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.346 -0.843 . . . . 74.2 109.893 178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.0 143.55 49.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.865 0.364 . . . . 73.54 111.235 -177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 48.2 mt -106.2 128.62 25.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.09 -0.504 . . . . 72.42 109.801 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -72.43 -152.04 0.03 OUTLIER 'Trans proline' 0 CA--C 1.535 0.547 0 C-N-CA 123.371 2.714 . . . . 52.44 111.998 178.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.83 154.89 46.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.705 0.288 . . . . 62.32 110.387 173.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 103.5 29.7 5.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.887 -0.673 . . . . 71.31 111.682 -178.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.524 ' O ' ' HD2' ' A' ' 40' ' ' ARG . 31.4 p-90 -124.78 173.23 8.71 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.372 0.605 . . . . 75.23 112.465 -173.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.524 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 5.1 mpt_? -137.69 114.44 10.54 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 114.836 -1.074 . . . . 71.53 109.465 173.173 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.456 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 81.0 t -83.33 116.13 26.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.47 -0.567 . . . . 71.24 109.47 175.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.7 t -81.04 -40.96 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.015 0.436 . . . . 63.24 110.544 -177.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.2 m80 -153.95 160.96 42.31 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 115.912 -0.585 . . . . 72.12 109.856 -179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -77.79 -141.02 1.53 Allowed Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.694 -0.765 . . . . 64.42 112.437 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.608 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -85.82 98.08 10.55 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 122.327 1.06 . . . . 75.21 110.652 -177.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.449 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -122.1 166.1 15.06 Favored 'General case' 0 C--N 1.305 -1.346 0 CA-C-N 113.619 -1.628 . . . . 74.23 108.984 176.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.8 p -47.71 128.29 12.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.086 0.47 . . . . 75.44 111.305 -177.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.508 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 1.7 tmm_? -61.84 -37.07 83.11 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.898 -0.592 . . . . 64.14 111.169 -172.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.83 75.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.342 -0.39 . . . . 71.21 110.974 178.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.06 98.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.159 -0.473 . . . . 72.52 110.86 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 80.7 m -64.26 -46.29 84.4 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.803 -0.635 . . . . 53.12 110.92 178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.13 -46.3 89.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.052 -0.522 . . . . 71.2 110.008 179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -55.78 -48.48 75.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.853 -0.612 . . . . 63.52 110.469 178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.8 t80 -61.03 -50.82 71.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.792 -0.64 . . . . 62.33 111.402 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.527 ' HB ' ' HB3' ' A' ' 26' ' ' HIS . 33.2 m -66.13 -36.08 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 CA-C-O 120.602 0.239 . . . . 74.32 111.615 -175.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -69.35 -40.84 77.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.123 0.487 . . . . 74.35 110.772 178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -82.52 -15.21 53.23 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.188 -0.46 . . . . 75.4 111.779 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.01 -22.77 48.76 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-O 121.356 0.598 . . . . 73.12 109.466 169.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.425 ' HD1' ' HG3' ' A' ' 25' ' ' GLN . 69.3 t90 -77.98 -41.03 37.35 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.463 -0.79 . . . . 74.44 109.433 171.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 26.5 m -62.41 -60.85 2.97 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 115.97 -0.559 . . . . 72.14 109.946 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -96.24 88.71 4.88 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.728 -0.841 . . . . 35.34 108.728 173.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 62' ' ' LEU . 1.8 tm? -71.29 101.11 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.225 -0.898 . . . . 71.54 109.939 -174.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -142.81 100.95 5.45 Favored Pre-proline 0 C--N 1.322 -0.628 0 CA-C-N 115.522 -0.763 . . . . 73.24 109.753 176.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 11.2 Cg_exo -70.43 97.36 0.69 Allowed 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 122.709 2.273 . . . . 50.3 112.224 -178.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.9 mmmt -89.97 90.87 8.34 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.109 -0.496 . . . . 73.1 110.499 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.2 m -95.58 104.33 16.23 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.985 -0.552 . . . . 53.54 110.205 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 43.7 tp -122.55 145.99 47.82 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.201 -0.454 . . . . 63.32 110.137 -179.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.7 ptt180 -132.76 -40.03 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.913 0.387 . . . . 73.4 110.707 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -141.39 138.45 33.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.008 -0.542 . . . . 51.34 110.463 -177.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.06 177.92 10.6 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.31 -0.405 . . . . 74.14 110.126 179.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 3.4 mpp? -78.71 80.53 5.07 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.996 0.427 . . . . 51.33 109.906 178.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 33.7 m -99.65 161.39 3.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.94 -0.573 . . . . 74.04 109.903 178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -104.97 100.24 9.85 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.851 -0.426 . . . . 71.22 109.851 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.2 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-O 118.429 -0.796 . . . . 62.35 110.242 -177.475 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.787 0 N-CA-C 112.159 -0.376 . . . . 51.44 112.159 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.6 t -79.22 146.16 33.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.865 0.364 . . . . 75.52 110.269 -179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 94.6 m-70 -126.12 138.59 53.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.887 0.375 . . . . 75.34 110.281 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.4 ptp -151.82 163.06 40.0 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.953 -0.567 . . . . 71.13 109.726 177.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.1 t -85.06 69.85 10.84 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.145 0.498 . . . . 73.33 110.595 -175.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.3 p -139.33 110.21 6.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.608 -0.723 . . . . 73.13 109.704 176.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -115.19 100.04 53.11 Favored Pre-proline 0 C--N 1.323 -0.546 0 CA-C-O 121.67 0.748 . . . . 71.44 112.01 -177.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -95.12 18.63 0.72 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 123.33 2.687 . . . . 72.03 111.348 172.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -97.47 -159.42 0.73 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.559 -0.746 . . . . 74.45 111.455 -174.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.445 ' CG ' ' H ' ' A' ' 11' ' ' ASP . 16.6 t70 -86.24 -171.4 3.54 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 115.863 -0.608 . . . . 73.42 110.046 -177.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.445 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 25.9 t70 -61.48 129.07 39.38 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.031 0.443 . . . . 71.44 111.178 -178.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -95.98 160.79 14.28 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.555 -0.748 . . . . 73.51 110.584 -178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -80.29 -12.16 59.64 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.932 0.396 . . . . 55.12 111.444 -177.38 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.78 -84.81 0.67 Allowed Glycine 0 CA--C 1.503 -0.674 0 C-N-CA 120.704 -0.76 . . . . 51.13 111.888 179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -157.84 147.68 20.18 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 115.057 -0.572 . . . . 53.33 110.332 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.578 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.6 OUTLIER -144.81 145.59 31.71 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.975 -0.557 . . . . 61.53 109.546 177.643 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 -119.08 167.94 11.31 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.262 0.553 . . . . 73.11 111.029 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.516 ' CG2' ' HB3' ' A' ' 43' ' ' HIS . 73.8 t -96.59 101.54 12.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 115.29 -0.868 . . . . 72.22 109.391 174.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 39' ' ' TRP . 13.5 tp -101.05 128.41 47.11 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.565 -0.743 . . . . 73.41 109.896 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 65.8 t -129.13 143.63 40.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.358 -0.383 . . . . 65.21 109.98 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -123.3 172.76 8.4 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.696 -0.853 . . . . 61.42 108.696 178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -67.06 -30.69 70.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.035 0.445 . . . . 75.41 110.585 -177.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -112.93 9.41 18.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.181 -0.463 . . . . 75.54 111.677 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -115.71 128.79 56.15 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.776 -0.824 . . . . 72.21 108.776 178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -71.94 -53.93 11.57 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.651 -0.42 . . . . 74.12 111.063 -172.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.562 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 5.4 p-80 -167.26 127.97 1.51 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.185 -0.461 . . . . 71.22 110.734 176.051 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 69.7 m -131.8 131.78 43.19 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.028 0.442 . . . . 70.05 111.248 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.545 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.2 mm? -85.05 106.31 16.44 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.895 -0.78 . . . . 62.1 108.895 172.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 48.2 t-105 -109.04 116.02 56.1 Favored Pre-proline 0 C--N 1.318 -0.772 0 CA-C-N 116.077 -0.51 . . . . 74.32 110.161 -174.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.472 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 21.2 Cg_exo -64.67 141.98 75.01 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.65 2.233 . . . . 73.54 111.851 178.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' O ' HG12 ' A' ' 31' ' ' VAL . 16.5 t -79.25 13.09 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 122.178 0.99 . . . . 74.32 109.54 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -95.64 -9.15 32.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 114.914 -1.039 . . . . 63.22 109.314 175.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.07 163.64 14.46 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 115.483 -0.781 . . . . 74.2 110.81 -177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.22 143.66 52.11 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.077 -0.511 . . . . 73.54 111.956 -177.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 60.7 mt -117.31 120.41 33.46 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 72.42 109.438 175.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -85.04 -107.96 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.815 0 C-N-CA 122.763 2.308 . . . . 52.44 113.353 -175.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.84 166.75 28.56 Favored 'General case' 0 N--CA 1.455 -0.221 0 O-C-N 122.105 -0.372 . . . . 62.32 110.627 -175.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.43 27.51 73.74 Favored Glycine 0 C--N 1.329 0.14 0 C-N-CA 120.794 -0.717 . . . . 71.31 111.934 -178.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.57 ' HB2' HD11 ' A' ' 19' ' ' LEU . 38.2 p-90 -101.08 154.31 18.83 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.186 0.517 . . . . 75.23 111.449 -176.015 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.534 ' HD2' ' C ' ' A' ' 39' ' ' TRP . 3.4 mpt_? -127.39 114.3 17.35 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.757 -0.656 . . . . 71.53 109.327 174.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.6 t -93.01 107.07 18.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 N-CA-C 109.46 -0.571 . . . . 71.24 109.46 176.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 43.5 t -84.64 -29.17 6.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.935 -0.575 . . . . 63.24 110.903 -175.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.915 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 53.5 t-80 -147.68 144.23 28.19 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.318 -0.401 . . . . 72.12 110.254 -176.576 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.08 -158.64 29.85 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 121.083 -0.579 . . . . 64.42 112.815 -177.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.457 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.3 OUTLIER -80.7 98.35 7.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 122.256 1.027 . . . . 75.21 111.547 -176.307 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.915 ' HB3' ' HE1' ' A' ' 43' ' ' HIS . . . -146.21 166.15 27.08 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 114.76 -1.109 . . . . 74.23 108.209 173.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.1 m -31.36 127.8 0.18 Allowed 'General case' 0 N--CA 1.47 0.567 0 O-C-N 124.418 1.074 . . . . 75.44 113.299 -168.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.527 ' NH1' HD11 ' A' ' 52' ' ' LEU . 2.3 tmm_? -62.91 -39.09 93.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 114.947 -1.024 . . . . 64.14 110.452 -173.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.18 -37.94 86.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.291 -0.413 . . . . 71.21 111.179 179.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.78 -39.35 87.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.225 0.536 . . . . 72.52 110.027 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.545 ' HB3' HD11 ' A' ' 28' ' ' LEU . 76.6 m -62.65 -42.29 99.52 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.647 -0.706 . . . . 53.12 110.344 175.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.527 HD11 ' NH1' ' A' ' 48' ' ' ARG . 79.5 mt -55.51 -47.88 75.54 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.563 -0.289 . . . . 71.2 110.815 175.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -55.47 -52.3 64.1 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-O 121.114 0.483 . . . . 63.52 110.231 178.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.0 t80 -58.27 -50.01 75.12 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.211 -0.904 . . . . 62.33 111.409 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.562 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 21.8 m -67.26 -36.66 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 N-CA-C 111.948 0.351 . . . . 74.32 111.948 -175.11 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -71.94 -39.52 69.37 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.85 0.357 . . . . 74.35 111.295 -178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.9 mtpt -78.16 -15.28 58.99 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.328 -0.396 . . . . 75.4 111.378 178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.48 15.12 22.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.305 -0.407 . . . . 73.12 111.509 179.118 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -20.62 65.88 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 120.791 0.329 . . . . 74.44 110.968 -178.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 50.4 m -68.54 127.69 33.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.489 . . . . 72.14 110.213 176.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -71.26 81.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.773 0.797 . . . . 35.34 111.788 -175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -113.0 107.93 16.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.684 -0.689 . . . . 71.54 109.149 176.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 8.1 ptp180 -81.08 115.06 53.62 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.089 0.471 . . . . 73.24 110.352 179.234 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -82.31 146.98 14.2 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.332 2.021 . . . . 50.3 112.139 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.06 97.78 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.74 -0.467 . . . . 73.1 109.74 176.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.9 m -81.18 83.51 6.79 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.101 -0.5 . . . . 53.54 111.568 -172.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tt -102.02 87.73 3.17 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.781 -0.822 . . . . 63.32 108.781 176.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -146.75 99.35 3.18 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.236 -0.438 . . . . 73.4 110.411 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -92.47 112.63 24.65 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.45 -0.574 . . . . 51.34 109.45 177.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -114.17 -63.64 1.42 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.387 -0.37 . . . . 74.14 111.186 -176.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 19.9 mmt 54.06 79.63 0.13 Allowed 'General case' 0 N--CA 1.465 0.276 0 O-C-N 123.78 0.675 . . . . 51.33 110.272 -175.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.2 m -133.3 157.41 42.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 115.836 -0.62 . . . . 74.04 111.409 -174.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 70.17 84.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 O-C-N 124.183 0.927 . . . . 71.22 112.397 173.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.245 0.816 0 CA-C-O 118.452 -0.785 . . . . 62.35 108.968 171.093 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.36 -0.696 . . . . 51.44 111.36 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -64.79 114.06 4.22 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.94 0.4 . . . . 75.52 110.992 -178.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 74.0 m80 -76.22 131.49 39.34 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.816 -0.809 . . . . 75.34 108.816 176.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 82.4 mtp 61.29 77.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.25 -0.648 . . . . 71.13 109.25 -171.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.2 t -116.29 123.8 48.58 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.074 -0.512 . . . . 73.33 111.522 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.1 p -105.6 121.37 43.84 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.686 -0.688 . . . . 73.13 109.49 172.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.435 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . 32.3 m-80 -84.21 124.93 73.51 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 116.267 -0.424 . . . . 71.44 111.018 -174.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -65.74 -42.15 12.71 Favored 'Trans proline' 0 CA--C 1.529 0.259 0 C-N-CA 122.592 2.195 . . . . 72.03 112.415 179.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.435 ' CE2' ' HB2' ' A' ' 7' ' ' ASN . 41.7 m-85 62.66 32.52 16.21 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.499 0.5 . . . . 74.45 111.453 178.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -117.94 -12.06 10.18 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.812 -0.355 . . . . 73.42 111.362 -177.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -103.04 142.59 33.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.315 -0.402 . . . . 71.44 110.937 -175.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -141.62 155.01 45.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 108.159 -1.052 . . . . 73.51 108.159 177.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -60.13 -33.82 72.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.984 0.421 . . . . 55.12 110.042 178.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.86 84.89 0.07 OUTLIER Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.361 -0.836 . . . . 51.13 113.64 175.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.33 110.98 2.43 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 109.455 -0.572 . . . . 53.33 109.455 174.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.712 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.7 OUTLIER -96.68 145.54 25.68 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.929 -0.578 . . . . 61.53 112.195 -170.762 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.447 ' CE1' ' HG2' ' A' ' 45' ' ' GLU . 3.5 m-85 -113.97 155.56 25.64 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.638 -0.71 . . . . 73.11 109.529 173.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 51' ' ' CYS . 41.9 t -82.37 97.36 4.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.43 -0.581 . . . . 72.22 109.43 175.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 39' ' ' TRP . 20.3 tp -105.65 128.09 53.44 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 73.41 110.356 -175.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.629 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 94.9 t -108.94 137.83 39.04 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 N-CA-C 109.31 -0.626 . . . . 65.21 109.31 173.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 1.139 ' HB2' ' HB3' ' A' ' 24' ' ' ASP . 43.0 m-80 -96.15 -173.36 2.79 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.143 -0.48 . . . . 61.42 109.875 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -76.92 -43.15 36.6 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.389 0.614 . . . . 75.41 109.842 -177.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -114.02 17.32 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.324 -0.853 . . . . 75.54 111.497 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 1.139 ' HB3' ' HB2' ' A' ' 21' ' ' ASN . 6.7 t70 -120.22 147.08 45.39 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.444 -0.344 . . . . 72.21 110.636 -178.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -77.51 -49.63 14.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.337 -0.392 . . . . 74.12 111.303 -175.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -165.32 134.3 3.37 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.319 -0.4 . . . . 71.22 111.146 -175.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.0 m -140.37 124.17 17.29 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.037 -0.529 . . . . 70.05 110.287 175.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -82.36 101.98 10.95 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.094 -0.706 . . . . 62.1 109.094 175.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.6 t-105 -108.06 116.98 56.1 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 115.382 -0.827 . . . . 74.32 110.687 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.712 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 15.4 Cg_exo -69.11 141.34 47.58 Favored 'Trans proline' 0 CA--C 1.529 0.265 0 C-N-CA 122.94 2.426 . . . . 73.54 112.81 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -69.79 2.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.761 -0.654 . . . . 74.32 111.509 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -76.26 -17.44 59.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.326 0.584 . . . . 63.22 109.779 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -113.73 148.1 37.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.842 -0.617 . . . . 74.2 110.495 179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -66.16 142.89 57.58 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.258 -0.428 . . . . 73.54 111.08 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 65.7 mt -94.94 119.39 66.0 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 116.173 -0.467 . . . . 72.42 110.856 179.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.9 -157.15 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 123.16 2.574 . . . . 52.44 112.205 177.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.506 ' HA ' ' HD1' ' A' ' 39' ' ' TRP . . . -104.32 175.33 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.662 -0.496 . . . . 62.32 109.662 173.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.85 60.88 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.184 -1.008 . . . . 71.31 110.999 -176.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HB2' HD11 ' A' ' 19' ' ' LEU . 64.5 p-90 -105.76 156.73 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.256 0.55 . . . . 75.23 111.833 -173.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.629 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 20.0 tpt180 -142.84 114.07 7.79 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.299 -0.864 . . . . 71.53 109.116 174.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.43 HG23 ' CE3' ' A' ' 39' ' ' TRP . 76.9 t -92.39 114.18 28.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 120.92 0.391 . . . . 71.24 110.315 -178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 49.1 t -89.11 -35.56 7.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.062 -0.517 . . . . 63.24 110.91 -178.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -159.33 148.82 18.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.358 -0.383 . . . . 72.12 110.2 -178.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.8 -166.83 31.41 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.424 -0.417 . . . . 64.42 112.974 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.577 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 2.8 pt-20 -69.08 98.4 0.98 Allowed 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 121.847 0.832 . . . . 75.21 111.919 -176.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.548 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.67 166.36 24.14 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.402 -1.272 . . . . 74.23 108.294 172.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.9 m -35.71 128.27 0.64 Allowed 'General case' 0 N--CA 1.472 0.658 0 O-C-N 123.779 0.675 . . . . 75.44 112.494 -174.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.586 ' NH1' HD11 ' A' ' 52' ' ' LEU . 2.5 tmm_? -66.85 -41.66 87.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.774 -0.648 . . . . 64.14 110.765 -170.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.51 -36.9 85.7 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.548 -0.296 . . . . 71.21 110.832 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.45 -39.6 85.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.52 110.487 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.456 ' HB3' HG22 ' A' ' 18' ' ' VAL . 71.5 m -62.02 -49.02 77.72 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.216 -0.447 . . . . 53.12 110.695 176.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.586 HD11 ' NH1' ' A' ' 48' ' ' ARG . 94.8 mt -54.3 -50.52 67.14 Favored 'General case' 0 C--O 1.226 -0.134 0 CA-C-N 116.23 -0.441 . . . . 71.2 110.826 174.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -55.23 -49.34 72.25 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.549 -179.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 87.6 t80 -57.14 -51.58 68.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.535 -0.757 . . . . 62.33 111.411 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -74.46 -35.47 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.174 0.435 . . . . 74.32 112.174 -174.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -72.21 -34.1 68.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.654 0.264 . . . . 74.35 111.25 -178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -80.46 -17.06 52.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.678 -0.237 . . . . 75.4 111.502 177.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.3 m-80 -85.46 -23.2 27.94 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.871 0.367 . . . . 73.12 110.383 174.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 47.2 t90 -71.2 112.94 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.868 -0.605 . . . . 74.44 109.781 174.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 13.5 t -82.65 137.4 34.49 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.144 -0.48 . . . . 72.14 110.515 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -85.25 89.3 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.279 0.562 . . . . 35.34 110.706 -176.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.467 HD13 ' HA ' ' A' ' 62' ' ' LEU . 3.4 mm? -118.14 -42.56 2.79 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.7 -0.682 . . . . 71.54 110.094 173.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.3 ttt180 -77.19 128.03 81.84 Favored Pre-proline 0 C--N 1.324 -0.524 0 CA-C-N 115.876 -0.602 . . . . 73.24 109.409 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.32 106.23 0.39 Allowed 'Trans proline' 0 N--CA 1.463 -0.289 0 C-N-CA 122.512 2.141 . . . . 50.3 112.122 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' H ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -77.82 146.99 35.43 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 73.1 110.459 178.229 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 7.9 t -98.78 151.68 20.52 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.166 -0.47 . . . . 53.54 110.529 -174.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 61.5 tp -101.98 112.05 24.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.266 -0.425 . . . . 63.32 110.9 -178.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -122.93 99.61 6.47 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.907 176.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -113.31 136.81 52.35 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.932 -0.576 . . . . 51.34 110.226 177.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -130.79 17.41 5.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.893 0.377 . . . . 74.14 111.382 -177.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.6 tpp -123.48 87.51 2.75 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.239 0.542 . . . . 51.33 110.637 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.6 t -112.64 108.68 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.775 -0.648 . . . . 74.04 109.767 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -117.98 168.04 10.89 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.37 -0.377 . . . . 71.22 110.345 -178.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 119.288 -0.387 . . . . 62.35 110.359 179.111 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.502 0 N-CA-C 111.693 -0.563 . . . . 51.44 111.693 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.4 m -75.2 114.48 13.76 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.76 0.314 . . . . 75.52 110.664 -178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -71.87 132.84 44.96 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.354 -0.61 . . . . 75.34 109.354 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -124.31 145.03 49.66 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.244 0.545 . . . . 71.13 110.925 -178.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.5 m -146.62 80.95 1.56 Allowed 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.955 -0.758 . . . . 73.33 108.955 174.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.428 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 3.4 m -76.24 100.06 4.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.918 -0.583 . . . . 73.13 110.215 -176.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -111.06 99.86 44.64 Favored Pre-proline 0 C--N 1.323 -0.552 0 CA-C-N 116.159 -0.473 . . . . 71.44 110.98 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.428 ' HD3' ' O ' ' A' ' 6' ' ' THR . 4.8 Cg_exo -78.63 -4.17 13.88 Favored 'Trans proline' 0 N--CA 1.461 -0.388 0 C-N-CA 122.818 2.345 . . . . 72.03 110.946 174.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 53.1 p90 -133.24 158.92 41.69 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.063 -0.971 . . . . 74.45 109.36 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -100.29 139.24 36.25 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.892 0.377 . . . . 73.42 110.011 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -112.33 -161.28 0.75 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.54 -0.541 . . . . 71.44 109.54 -178.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.83 151.18 21.91 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.739 0.304 . . . . 73.51 110.212 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -89.8 143.89 26.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.247 -0.433 . . . . 55.12 110.623 -175.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.53 177.24 54.15 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.889 -0.672 . . . . 51.13 112.331 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -64.53 147.39 52.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.35 . . . . 53.33 111.123 -178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.582 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.3 OUTLIER -128.0 145.7 50.89 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.756 -0.657 . . . . 61.53 109.875 -177.282 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.464 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.85 158.62 25.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.47 -0.332 . . . . 73.11 110.826 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 52.5 t -84.22 100.05 7.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 N-CA-C 109.167 -0.679 . . . . 72.22 109.167 174.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.592 HD11 ' HB2' ' A' ' 39' ' ' TRP . 13.6 tp -111.55 128.23 55.97 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.324 -0.398 . . . . 73.41 110.425 -171.136 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 92.4 t -121.75 130.34 74.68 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.292 -0.633 . . . . 65.21 109.292 174.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.462 ' HB2' ' CB ' ' A' ' 24' ' ' ASP . 49.2 m-80 -89.6 153.72 20.54 Favored 'General case' 0 C--N 1.317 -0.834 0 N-CA-C 109.124 -0.695 . . . . 61.42 109.124 178.204 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -62.66 -25.81 68.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.904 0.383 . . . . 75.41 110.686 -177.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 53.7 mm-40 -114.11 25.63 10.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.89 -0.596 . . . . 75.54 111.459 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.462 ' CB ' ' HB2' ' A' ' 21' ' ' ASN . 14.6 t70 -137.13 160.84 37.8 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.159 -0.312 . . . . 72.21 110.159 -179.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -83.07 -50.52 8.43 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.69 0.281 . . . . 74.12 111.176 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.567 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 0.0 OUTLIER -166.02 143.45 5.44 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.647 -0.251 . . . . 71.22 111.165 -176.736 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 26.0 m -147.82 149.68 32.77 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-O 121.528 0.68 . . . . 70.05 111.644 178.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -113.69 110.61 20.46 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.782 -0.821 . . . . 62.1 108.782 174.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.402 ' CD1' HG12 ' A' ' 35' ' ' ILE . 74.5 t-105 -117.82 121.59 31.53 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.549 -0.296 . . . . 74.32 111.283 -171.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.55 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 68.6 Cg_endo -75.43 134.25 16.9 Favored 'Trans proline' 0 N--CA 1.459 -0.523 0 C-N-CA 122.564 2.176 . . . . 73.54 111.766 175.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.8 m -77.62 9.93 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.071 0.462 . . . . 74.32 112.02 -175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 75.7 t80 -75.34 -29.2 59.88 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.019 -0.734 . . . . 63.22 109.019 173.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.22 144.91 30.16 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.35 -0.841 . . . . 74.2 109.744 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -69.16 130.03 41.53 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.198 -0.455 . . . . 73.54 111.437 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.402 HG12 ' CD1' ' A' ' 29' ' ' TRP . 29.8 mt -74.37 129.03 84.94 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.784 -0.644 . . . . 72.42 109.827 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -77.99 -101.5 0.01 OUTLIER 'Trans proline' 0 CA--C 1.541 0.875 0 C-N-CA 122.856 2.371 . . . . 52.44 114.061 -174.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -150.58 160.28 43.92 Favored 'General case' 0 C--O 1.234 0.273 0 O-C-N 122.489 -0.132 . . . . 62.32 110.756 -174.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 71.73 29.99 66.76 Favored Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 121.089 -0.577 . . . . 71.31 111.969 -179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.592 ' HB2' HD11 ' A' ' 19' ' ' LEU . 42.1 p-90 -104.11 139.01 39.78 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.582 0.706 . . . . 75.23 112.359 -173.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -119.63 114.91 22.92 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.894 -1.048 . . . . 71.53 109.559 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 88.5 t -83.85 110.67 18.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.683 -0.488 . . . . 71.24 109.683 175.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 44.5 t -81.44 -39.07 16.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 121.267 0.556 . . . . 63.24 109.603 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -155.13 154.87 33.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.261 -0.881 . . . . 72.12 109.385 178.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.464 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -80.43 -132.78 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 O-C-N 123.641 0.588 . . . . 64.42 112.918 -176.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.448 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -92.75 97.74 10.96 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.688 1.232 . . . . 75.21 110.562 -177.259 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.524 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -118.4 166.32 12.81 Favored 'General case' 0 C--N 1.308 -1.219 0 CA-C-N 113.121 -1.854 . . . . 74.23 109.205 175.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m -43.66 129.75 5.41 Favored 'General case' 0 N--CA 1.466 0.344 0 O-C-N 123.485 0.491 . . . . 75.44 111.544 -177.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.582 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.3 tmm_? -54.08 -47.16 72.01 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.024 -0.534 . . . . 64.14 110.828 -175.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -60.94 -41.51 96.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.509 -0.314 . . . . 71.21 110.61 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.26 -37.23 86.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 72.52 111.045 179.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.7 m -66.59 -45.56 78.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.264 -0.426 . . . . 53.12 111.099 179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.525 HD23 ' HD2' ' A' ' 48' ' ' ARG . 4.5 mm? -64.98 -42.79 94.22 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.879 0.371 . . . . 71.2 110.312 177.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -56.83 -46.41 81.71 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.401 0.62 . . . . 63.52 110.04 174.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.0 t80 -59.77 -51.35 70.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.939 -1.028 . . . . 62.33 111.304 -178.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.6 m -69.76 -37.3 73.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 N-CA-C 111.791 0.293 . . . . 74.32 111.791 -175.318 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -72.16 -36.75 69.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.624 0.25 . . . . 74.35 111.6 -177.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.2 mtpt -77.35 -15.26 59.48 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.591 0.234 . . . . 75.4 111.531 177.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -87.46 -46.55 9.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.486 -0.324 . . . . 73.12 110.877 174.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 96.3 m95 -130.9 104.71 7.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.145 0.498 . . . . 74.44 111.674 -178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 9.9 t -139.65 152.56 46.85 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.56 -0.746 . . . . 72.14 109.118 174.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -94.32 -13.19 26.69 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.267 0.556 . . . . 35.34 110.319 -179.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.3 mt -90.55 160.67 15.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.788 -0.642 . . . . 71.54 110.201 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' C ' ' HD3' ' A' ' 63' ' ' ARG . 2.6 tmt_? -131.7 88.34 42.88 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-O 120.825 0.345 . . . . 73.24 110.19 176.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_endo -96.15 167.26 1.22 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.191 2.594 . . . . 50.3 111.186 170.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -86.61 72.2 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.826 0.822 . . . . 73.1 110.231 177.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 46.4 t -90.15 105.36 17.76 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.269 -0.878 . . . . 53.54 110.449 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -97.1 160.21 14.47 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.168 -0.469 . . . . 63.32 109.979 176.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.4 -179.43 4.45 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 109.409 -0.589 . . . . 73.4 109.409 -179.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -69.13 101.14 1.38 Allowed 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.63 -0.507 . . . . 51.34 109.63 175.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.72 106.63 18.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.801 -0.636 . . . . 74.14 111.508 -174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.1 ppp? -141.82 151.52 42.85 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.607 -0.886 . . . . 51.33 108.607 175.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.3 p -148.96 133.45 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.112 0.482 . . . . 74.04 110.702 -176.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -105.73 169.69 8.33 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.832 -0.622 . . . . 71.22 110.133 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.1 t70 . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.745 -0.645 . . . . 62.35 110.714 -179.252 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.828 0 N-CA-C 111.996 -0.441 . . . . 51.44 111.996 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.0 m -93.04 111.64 23.34 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.954 0.406 . . . . 75.52 110.548 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.3 t60 -149.0 104.32 3.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.863 -0.608 . . . . 75.34 109.584 174.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.7 mpt? -80.45 100.45 8.51 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.883 -0.598 . . . . 71.13 110.411 -179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -65.31 -34.55 78.61 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.87 -0.605 . . . . 73.33 109.847 176.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 m -78.73 93.09 4.87 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.461 -0.79 . . . . 73.13 109.786 176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.46 ' HB3' ' HD2' ' A' ' 9' ' ' PHE . 85.7 m-20 -69.71 121.05 81.24 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.831 -0.622 . . . . 71.44 110.664 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -80.79 27.03 0.58 Allowed 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 122.92 2.413 . . . . 72.03 112.054 179.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HD2' ' HB3' ' A' ' 7' ' ' ASN . 68.5 m-85 -105.79 106.9 17.61 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.862 -0.608 . . . . 74.45 110.448 -177.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -115.59 120.16 38.52 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.939 -0.393 . . . . 73.42 109.939 174.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.86 175.18 5.71 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.113 -0.494 . . . . 71.44 110.52 -177.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -127.25 23.01 6.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.393 -0.367 . . . . 73.51 111.415 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.418 HD22 ' N ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -157.36 -157.67 0.69 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.877 0.37 . . . . 55.12 111.385 -172.271 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.581 ' HA2' ' HB2' ' A' ' 32' ' ' PHE . . . -93.05 93.33 1.74 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.427 -0.892 . . . . 51.13 112.117 175.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' A' ' 30' ' ' PRO . . . -72.71 136.18 45.51 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 109.956 -0.387 . . . . 53.33 109.956 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.493 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.0 OUTLIER -99.52 145.77 27.12 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.284 0.564 . . . . 61.53 112.219 -174.119 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.906 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 1.0 OUTLIER -120.67 155.92 32.82 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.294 -0.866 . . . . 73.11 110.018 176.197 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.589 HG21 ' HB3' ' A' ' 43' ' ' HIS . 66.2 t -87.03 98.0 6.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 109.703 -0.481 . . . . 72.22 109.703 175.348 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.1 tp -106.0 129.9 54.03 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.79 -0.641 . . . . 73.41 110.237 -175.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.3 t -109.09 135.05 49.16 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 CA-C-O 120.845 0.355 . . . . 65.21 110.325 176.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.614 ' HB3' ' CB ' ' A' ' 24' ' ' ASP . 28.6 t-20 -104.33 162.76 12.94 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.608 -0.886 . . . . 61.42 108.608 179.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -56.36 -46.12 80.16 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 112.297 0.48 . . . . 75.41 112.297 -172.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 37.1 mt-10 -114.55 25.52 10.95 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 111.805 0.298 . . . . 75.54 111.805 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.614 ' CB ' ' HB3' ' A' ' 21' ' ' ASN . 37.7 t70 -111.26 155.54 22.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.865 0.364 . . . . 72.21 111.615 -175.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.674 ' NE2' ' H ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -84.04 -50.49 7.93 Favored 'General case' 0 CA--C 1.533 0.327 0 CA-C-N 115.986 -0.552 . . . . 74.12 112.009 179.772 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.674 ' H ' ' NE2' ' A' ' 25' ' ' GLN . 14.9 p80 -165.85 128.11 1.99 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.858 0.361 . . . . 71.22 110.911 175.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 68.7 m -123.37 104.77 9.32 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 116.152 -0.476 . . . . 70.05 110.684 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -81.07 97.91 7.75 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 108.903 -0.777 . . . . 62.1 108.903 174.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.468 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 76.3 t-105 -107.56 126.54 29.71 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 115.815 -0.63 . . . . 74.32 110.787 -169.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.483 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.4 Cg_exo -68.26 131.93 24.64 Favored 'Trans proline' 0 N--CA 1.461 -0.401 0 C-N-CA 122.752 2.301 . . . . 73.54 112.542 178.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 26.9 m -74.89 -4.26 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.839 -0.618 . . . . 74.32 111.098 178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.581 ' HB2' ' HA2' ' A' ' 14' ' ' GLY . 73.8 t80 -75.67 -20.93 58.1 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.755 -0.657 . . . . 63.22 109.402 174.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -99.28 162.8 12.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.805 -0.634 . . . . 74.2 110.169 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -70.45 121.12 17.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.242 -178.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 67.9 mt -83.73 120.75 75.66 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.212 -0.449 . . . . 72.42 109.946 174.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -75.49 -153.25 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 123.376 2.717 . . . . 52.44 112.178 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -113.62 155.8 24.83 Favored 'General case' 0 C--O 1.235 0.338 0 N-CA-C 110.339 -0.245 . . . . 62.32 110.339 173.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 96.33 29.99 8.04 Favored Glycine 0 C--N 1.33 0.236 0 C-N-CA 120.729 -0.748 . . . . 71.31 111.597 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' A' ' 19' ' ' LEU . 67.9 p-90 -121.72 160.77 23.83 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.09 0.472 . . . . 75.23 111.496 -173.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.431 ' HD3' ' HA ' ' A' ' 40' ' ' ARG . 4.0 mmt180 -146.02 124.76 12.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.633 -0.712 . . . . 71.53 110.145 171.249 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.471 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 70.5 t -88.63 124.73 41.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.456 -0.338 . . . . 71.24 110.5 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.8 t -94.34 -36.37 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.033 0.444 . . . . 63.24 110.879 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.863 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 44.8 t-80 -145.44 144.52 30.67 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.075 -0.512 . . . . 72.12 110.245 -175.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.76 -157.95 14.45 Favored Glycine 0 C--N 1.329 0.19 0 C-N-CA 121.061 -0.59 . . . . 64.42 113.345 -177.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.906 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.61 99.41 9.54 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 122.569 1.176 . . . . 75.21 111.266 -176.215 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.863 ' HB3' ' HE1' ' A' ' 43' ' ' HIS . . . -144.35 166.09 26.07 Favored 'General case' 0 C--N 1.296 -1.732 0 CA-C-N 113.457 -1.701 . . . . 74.23 108.843 173.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.1 m -31.41 128.19 0.17 Allowed 'General case' 0 C--O 1.237 0.444 0 O-C-N 124.445 1.091 . . . . 75.44 113.484 -172.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 7.4 tpt180 -55.98 -48.04 76.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 114.977 -1.011 . . . . 64.14 110.692 -177.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.76 -41.83 87.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.003 -0.544 . . . . 71.21 111.074 -179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.54 -43.76 92.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.937 -0.574 . . . . 72.52 111.092 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 74.1 m -62.18 -51.18 68.86 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.452 -0.34 . . . . 53.12 110.972 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.417 HD13 ' HA ' ' A' ' 52' ' ' LEU . 4.1 mm? -57.57 -46.98 83.31 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.346 -0.388 . . . . 71.2 111.239 177.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -59.63 -47.92 83.69 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.527 -0.306 . . . . 63.52 110.914 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -58.14 -51.63 68.92 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.279 -0.419 . . . . 62.33 111.49 -179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.4 m -68.61 -38.18 78.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.663 -0.415 . . . . 74.32 111.628 -174.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -72.81 -29.94 63.66 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.926 -0.31 . . . . 74.35 111.64 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 mtpm? -73.43 -39.54 64.93 Favored 'General case' 0 N--CA 1.462 0.131 0 C-N-CA 121.189 -0.204 . . . . 75.4 111.034 176.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -70.8 -35.76 72.67 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 121.038 0.447 . . . . 73.12 109.821 176.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 7.3 t90 62.98 83.78 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.743 -1.117 . . . . 74.44 110.461 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 23.5 m -73.05 89.5 1.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.216 -0.902 . . . . 72.14 110.509 179.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -112.42 114.91 27.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 35.34 111.227 -178.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -107.18 8.47 30.06 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 108.898 -0.779 . . . . 71.54 108.898 171.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 58.59 85.26 0.19 Allowed Pre-proline 0 C--N 1.331 -0.211 0 CA-C-N 114.598 -1.183 . . . . 73.24 110.668 -175.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.36 130.32 22.22 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.835 2.357 . . . . 50.3 112.192 -178.367 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -161.35 95.75 1.04 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.458 -0.571 . . . . 73.1 109.458 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 21.9 m -63.06 95.37 0.08 Allowed 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.446 0.641 . . . . 53.54 110.389 -178.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 67' ' ' LEU . 0.6 OUTLIER -173.35 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 107.693 -1.225 . . . . 63.32 107.693 -173.652 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.612 ' NE ' ' HA ' ' A' ' 68' ' ' ARG . 1.2 mmp_? -88.41 12.77 13.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.881 -1.054 . . . . 73.4 111.114 177.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.49 116.39 5.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.14 -0.482 . . . . 51.34 110.173 177.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.41 93.48 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.062 -0.517 . . . . 74.14 110.396 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptt? -86.45 94.71 9.47 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.455 0.645 . . . . 51.33 110.565 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.1 m -109.76 154.16 11.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.395 -0.82 . . . . 74.04 109.627 176.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -80.59 -53.4 6.59 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.936 0.398 . . . . 71.22 110.665 -175.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 14.3 t70 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.733 -0.651 . . . . 62.35 109.929 -179.975 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.53 -0.628 . . . . 51.44 111.53 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.3 m -70.93 90.65 0.82 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.334 0.588 . . . . 75.52 111.0 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 p-80 -78.82 138.2 38.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.809 -0.632 . . . . 75.34 109.757 177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 25.3 ptm -142.32 164.54 29.86 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.174 0.511 . . . . 71.13 111.374 -175.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -132.91 138.2 46.89 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.246 -0.888 . . . . 73.33 109.046 176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.8 m -96.33 133.99 40.02 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.646 0.26 . . . . 73.13 110.376 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -82.19 136.17 46.91 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.573 -0.529 . . . . 71.44 109.573 177.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -79.78 23.44 0.67 Allowed 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.873 2.382 . . . . 72.03 113.387 -173.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -82.44 138.79 34.3 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.938 0.399 . . . . 74.45 110.274 178.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -91.98 9.46 33.05 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.01 -0.541 . . . . 73.42 110.099 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -73.97 78.42 1.67 Allowed 'General case' 0 CA--C 1.518 -0.25 0 N-CA-C 109.243 -0.651 . . . . 71.44 109.243 176.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -86.6 95.32 9.72 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.671 -0.695 . . . . 73.51 110.76 -174.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -160.04 101.64 1.43 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.76 -0.654 . . . . 55.12 110.544 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 170.25 82.91 0.05 OUTLIER Glycine 0 CA--C 1.505 -0.548 0 C-N-CA 120.849 -0.691 . . . . 51.13 112.081 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -105.04 119.61 39.44 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-O 121.418 0.627 . . . . 53.33 111.087 -177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.631 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.3 OUTLIER -132.86 145.64 51.13 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 114.943 -1.026 . . . . 61.53 109.298 179.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.509 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.0 m-85 -114.98 165.4 12.92 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.018 0.437 . . . . 73.11 111.013 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.8 t -93.69 97.7 7.37 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 N-CA-C 109.005 -0.739 . . . . 72.22 109.005 172.096 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.538 HD11 ' HB2' ' A' ' 39' ' ' TRP . 21.0 tp -107.67 129.11 55.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.606 -0.724 . . . . 73.41 110.724 -173.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.1 t -114.76 134.27 58.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.148 -0.478 . . . . 65.21 110.102 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.745 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.7 t-20 -111.03 156.09 21.79 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 108.462 -0.94 . . . . 61.42 108.462 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -56.49 -38.92 72.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.912 0.387 . . . . 75.41 111.355 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -109.97 21.07 17.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.946 -0.57 . . . . 75.54 111.422 -177.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.745 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 18.2 t70 -134.09 132.65 40.21 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.497 -0.556 . . . . 72.21 109.497 178.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -68.64 -53.51 22.03 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.597 -0.441 . . . . 74.12 111.599 -172.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -166.76 128.24 1.7 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.819 -0.173 . . . . 71.22 110.943 177.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 75.7 m -128.86 135.25 48.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.146 0.498 . . . . 70.05 111.726 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.497 HD11 ' HB3' ' A' ' 51' ' ' CYS . 2.8 mm? -84.03 101.5 11.8 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 108.725 -0.842 . . . . 62.1 108.725 170.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 60.9 t-105 -107.69 116.86 56.84 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.705 -0.68 . . . . 74.32 110.681 -169.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.631 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 60.7 Cg_endo -73.39 155.31 50.95 Favored 'Trans proline' 0 N--CA 1.463 -0.315 0 C-N-CA 122.581 2.187 . . . . 73.54 112.31 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.2 m -76.38 -0.62 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.952 0.406 . . . . 74.32 111.562 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 22.8 t80 -101.03 24.95 8.63 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.779 0.799 . . . . 63.22 109.313 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -135.98 127.99 29.6 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.5 -0.773 . . . . 74.2 110.113 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -62.57 122.24 15.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.344 0.592 . . . . 73.54 110.941 -178.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 51.0 mt -77.01 128.71 80.58 Favored Pre-proline 0 C--N 1.323 -0.584 0 CA-C-N 115.801 -0.636 . . . . 72.42 110.722 -178.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -72.47 -154.72 0.04 OUTLIER 'Trans proline' 0 CA--C 1.533 0.444 0 C-N-CA 123.322 2.682 . . . . 52.44 112.289 177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -107.24 166.5 10.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.494 0.188 . . . . 62.32 110.563 173.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 77.11 29.49 56.68 Favored Glycine 0 C--N 1.33 0.245 0 C-N-CA 120.639 -0.791 . . . . 71.31 111.907 -178.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.538 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.0 p-90 -109.66 151.81 26.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.846 0.355 . . . . 75.23 111.686 -174.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.473 ' HA ' ' HD3' ' A' ' 40' ' ' ARG . 10.2 mmt180 -144.66 128.83 17.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.755 -0.657 . . . . 71.53 110.208 170.486 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 94.5 t -85.13 115.55 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.017 -0.538 . . . . 71.24 110.644 -179.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -91.44 -25.2 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.076 0.465 . . . . 63.24 110.296 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.432 ' HE1' ' HB2' ' A' ' 46' ' ' ALA . 31.4 t-80 -157.71 143.46 17.29 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.135 -178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.75 -153.33 10.93 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.848 -0.691 . . . . 64.42 112.167 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.513 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -83.27 98.17 9.27 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 122.642 1.211 . . . . 75.21 111.259 -174.14 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.628 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.59 166.02 13.69 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.143 -1.844 . . . . 74.23 108.245 172.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.5 t -44.94 131.43 7.21 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.634 0.584 . . . . 75.44 111.179 -175.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 5.2 tpp180 -51.47 -43.61 62.18 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.005 -0.543 . . . . 64.14 111.006 -176.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.59 -46.22 89.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.21 111.258 179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -40.05 95.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.026 0.441 . . . . 72.52 110.861 179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.497 ' HB3' HD11 ' A' ' 28' ' ' LEU . 80.5 m -64.73 -44.98 88.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.969 -0.56 . . . . 53.12 110.796 178.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 48' ' ' ARG . 95.4 mt -61.98 -44.45 96.72 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.828 0.347 . . . . 71.2 110.43 175.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -57.01 -46.72 82.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.005 -0.543 . . . . 63.52 110.11 178.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -62.62 -51.89 65.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.609 -0.723 . . . . 62.33 111.651 -179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.7 m -65.35 -40.96 90.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 120.655 0.264 . . . . 74.32 111.617 -174.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -72.77 -39.76 66.52 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.45 -0.341 . . . . 74.35 111.769 -178.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 41.6 mtpt -74.86 -18.89 60.36 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.747 0.308 . . . . 75.4 111.467 178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -83.11 -40.99 19.08 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.675 -0.491 . . . . 73.12 109.675 171.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 8.9 t-105 61.06 20.75 11.19 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.445 -0.798 . . . . 74.44 110.185 178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 31.5 m 64.27 80.23 0.24 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.106 -0.952 . . . . 72.14 110.826 -177.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -111.36 165.24 12.12 Favored 'General case' 0 C--O 1.239 0.506 0 CA-C-N 115.358 -0.837 . . . . 35.34 109.274 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.9 tp -81.29 87.17 6.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.662 0.744 . . . . 71.54 111.264 -176.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.4 ' CB ' ' HD2' ' A' ' 64' ' ' PRO . 0.0 OUTLIER -94.33 170.2 8.6 Favored Pre-proline 0 C--N 1.317 -0.837 0 CA-C-N 115.119 -0.946 . . . . 73.24 109.05 172.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.4 ' HD2' ' CB ' ' A' ' 63' ' ' ARG . 2.8 Cg_endo -42.07 134.93 4.1 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 123.204 2.603 . . . . 50.3 112.277 176.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.0 131.1 39.87 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-N 116.161 -0.472 . . . . 73.1 110.148 -178.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -80.63 88.09 5.74 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.209 -0.45 . . . . 53.54 111.469 -173.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 67' ' ' LEU . 1.7 tm? -87.59 83.31 7.25 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 108.409 -0.96 . . . . 63.32 108.409 174.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 38.8 ttm180 -143.16 100.02 3.56 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.183 -0.917 . . . . 73.4 108.904 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -130.41 134.84 47.44 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.862 -0.608 . . . . 51.34 110.684 -174.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.53 167.91 27.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.165 -0.471 . . . . 74.14 110.031 -178.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 27.6 ttt -81.48 93.68 6.7 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.845 -0.428 . . . . 51.33 109.845 178.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.37 90.94 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.945 -0.57 . . . . 74.04 109.807 179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -151.85 -163.33 1.72 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.998 -0.546 . . . . 71.22 110.605 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.121 -0.942 . . . . 62.35 110.891 -176.093 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.735 0 N-CA-C 112.134 -0.386 . . . . 51.44 112.134 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.1 m -103.48 14.95 30.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.551 0.215 . . . . 75.52 110.992 -178.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 69.9 m80 59.45 33.28 22.23 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.728 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.8 ptm -105.14 139.94 39.05 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.933 -0.576 . . . . 71.13 110.925 -176.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.6 m -93.25 155.13 17.62 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.867 -0.606 . . . . 73.33 109.61 174.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.634 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 29.7 m -104.08 129.88 51.76 Favored 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.987 -0.375 . . . . 73.13 109.987 -179.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.408 ' HB3' ' OD2' ' A' ' 10' ' ' ASP . 3.9 m-20 -102.32 99.26 12.32 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.607 0.241 . . . . 71.44 110.658 178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.634 ' HD3' ' O ' ' A' ' 6' ' ' THR . 58.8 Cg_endo -99.59 -13.56 0.24 Allowed 'Trans proline' 0 N--CA 1.45 -1.085 0 C-N-CA 122.985 2.456 . . . . 72.03 112.135 173.373 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -130.74 104.5 7.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.891 -0.595 . . . . 74.45 110.594 -175.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.408 ' OD2' ' HB3' ' A' ' 7' ' ' ASN . 3.9 m-20 -139.21 178.73 6.97 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.45 -0.574 . . . . 73.42 109.45 176.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -92.86 80.52 4.65 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.316 0.579 . . . . 71.44 109.876 178.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -111.83 6.0 19.36 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.215 -0.902 . . . . 73.51 111.249 -176.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -81.84 85.04 6.71 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 55.12 111.029 -177.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 71.58 -136.71 24.96 Favored Glycine 0 N--CA 1.452 -0.297 0 CA-C-N 115.885 -0.598 . . . . 51.13 113.001 176.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -139.45 152.56 47.12 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.05 0.452 . . . . 53.33 110.998 -178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.562 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -139.75 147.16 40.45 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.719 -0.673 . . . . 61.53 110.029 -176.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.624 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -118.05 163.08 17.14 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.301 -0.409 . . . . 73.11 110.381 177.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 85.9 t -92.2 99.52 9.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.208 -0.664 . . . . 72.22 109.208 173.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.7 tp -105.94 128.23 53.66 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.682 -0.69 . . . . 73.41 109.845 -175.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' A' ' 26' ' ' HIS . 88.3 t -126.9 133.84 67.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.995 0.426 . . . . 65.21 111.313 -178.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -104.46 150.39 24.6 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.519 -0.919 . . . . 61.42 108.519 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -68.19 -14.54 63.06 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.853 0.359 . . . . 75.41 111.191 -175.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -108.62 17.35 22.06 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.104 -0.498 . . . . 75.54 110.182 176.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -129.37 -166.48 1.66 Allowed 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 108.837 -0.801 . . . . 72.21 108.837 179.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.585 HE21 ' HG ' ' A' ' 62' ' ' LEU . 41.8 mt-30 -125.46 -53.47 1.59 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 122.214 -0.304 . . . . 74.12 110.419 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.453 ' HA ' HG22 ' A' ' 20' ' ' VAL . 25.4 p80 -166.14 144.87 5.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.327 . . . . 71.22 110.476 173.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 m -148.79 127.16 12.24 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 116.401 -0.363 . . . . 70.05 110.321 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.72 109.09 17.78 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.057 -0.72 . . . . 62.1 109.057 175.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.4 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 77.3 t-105 -107.62 116.31 57.82 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.912 -171.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 15.0 Cg_exo -69.34 139.34 41.45 Favored 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 123.043 2.495 . . . . 73.54 111.827 177.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 27.0 m -76.15 -1.2 3.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.32 111.728 -175.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -68.38 -33.09 73.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.217 0.532 . . . . 63.22 110.312 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -102.15 139.89 37.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.789 -0.641 . . . . 74.2 109.4 176.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -72.63 143.33 48.22 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.791 -0.364 . . . . 73.54 110.04 -176.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.413 HG23 HD21 ' A' ' 19' ' ' LEU . 56.6 mt -68.82 133.66 90.29 Favored Pre-proline 0 C--N 1.321 -0.661 0 CA-C-N 115.917 -0.583 . . . . 72.42 111.418 -174.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -68.78 -163.38 0.09 OUTLIER 'Trans proline' 0 C--N 1.344 0.307 0 C-N-CA 123.023 2.482 . . . . 52.44 112.276 174.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -98.17 170.23 9.05 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.331 -0.395 . . . . 62.32 109.981 174.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.29 29.82 69.91 Favored Glycine 0 C--O 1.229 -0.207 0 C-N-CA 120.79 -0.719 . . . . 71.31 112.304 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.554 ' HB2' HD11 ' A' ' 19' ' ' LEU . 60.0 p-90 -98.94 154.3 18.17 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.079 0.466 . . . . 75.23 112.024 -173.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.4 ' HA ' ' HD2' ' A' ' 40' ' ' ARG . 3.0 tpt180 -149.42 126.14 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.923 -0.769 . . . . 71.53 108.923 170.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.0 t -91.73 116.16 32.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 120.693 0.282 . . . . 71.24 110.741 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.9 t -92.46 -29.53 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.179 0.514 . . . . 63.24 110.707 179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -155.98 144.86 20.41 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.403 -0.591 . . . . 72.12 109.403 -177.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -84.62 -148.74 9.75 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.595 -0.812 . . . . 64.42 112.446 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.624 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -83.85 98.21 9.62 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 122.403 1.097 . . . . 75.21 111.297 -176.696 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.562 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -129.89 160.25 34.12 Favored 'General case' 0 C--N 1.307 -1.272 0 CA-C-N 113.499 -1.682 . . . . 74.23 108.365 172.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.2 m -39.29 128.4 1.79 Allowed 'General case' 0 CA--C 1.532 0.284 0 O-C-N 123.806 0.691 . . . . 75.44 112.036 -176.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.772 HH11 HD22 ' A' ' 52' ' ' LEU . 6.3 tmm_? -51.8 -48.33 63.88 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.701 -0.681 . . . . 64.14 110.993 -174.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.23 -38.14 76.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 71.21 111.495 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -73.49 -33.94 65.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.436 -0.347 . . . . 72.52 111.127 -178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 94.2 m -69.12 -46.62 67.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.468 -0.333 . . . . 53.12 110.386 176.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.772 HD22 HH11 ' A' ' 48' ' ' ARG . 9.4 mp -57.56 -46.94 83.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.344 -0.389 . . . . 71.2 110.298 173.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -55.59 -49.02 73.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.792 -0.64 . . . . 63.52 110.588 178.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 t80 -58.93 -51.52 69.71 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.826 -0.624 . . . . 62.33 111.606 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.07 -41.14 79.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.852 -0.339 . . . . 74.32 111.691 -174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 60' ' ' THR . 6.9 mm-40 -70.47 -38.89 74.51 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.589 -0.278 . . . . 74.35 111.695 -175.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 59.2 mtpt -72.99 -18.62 61.34 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.672 0.272 . . . . 75.4 111.385 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.504 ' HB3' ' HE3' ' A' ' 59' ' ' TRP . 15.8 m-80 -94.12 -45.44 7.55 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.648 -0.251 . . . . 73.12 111.401 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.504 ' HE3' ' HB3' ' A' ' 58' ' ' ASN . 46.2 p90 -151.49 120.25 6.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.545 0.688 . . . . 74.44 111.177 178.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.435 HG23 ' O ' ' A' ' 56' ' ' GLU . 0.8 OUTLIER -106.19 -49.76 3.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.583 -0.735 . . . . 72.14 110.92 177.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -119.17 150.85 39.36 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.118 -0.492 . . . . 35.34 110.406 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.585 ' HG ' HE21 ' A' ' 25' ' ' GLN . 67.4 mt -92.65 34.81 1.05 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.39 -0.368 . . . . 71.54 111.846 -175.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -56.74 120.64 38.9 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 108.459 -0.941 . . . . 73.24 108.459 172.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -33.58 114.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.351 0.711 0 C-N-CA 124.301 3.334 . . . . 50.3 114.193 -173.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.4 tppt? -105.75 -34.18 7.77 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.042 -0.981 . . . . 73.1 110.132 -177.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.2 t -99.84 105.07 16.79 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.131 -0.692 . . . . 53.54 109.131 177.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 45.2 tp -81.97 82.23 7.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.23 0.538 . . . . 63.32 110.534 -177.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -128.96 114.22 16.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.268 -0.878 . . . . 73.4 109.652 174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -80.54 83.63 6.3 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.305 0.574 . . . . 51.34 110.021 -178.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.19 92.45 1.71 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.364 -0.835 . . . . 74.14 110.04 179.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.401 ' HG3' ' HG3' ' A' ' 73' ' ' GLU . 13.2 tpt -87.94 104.7 16.87 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.958 0.409 . . . . 51.33 110.046 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 44.5 t -98.65 97.25 5.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.888 -0.596 . . . . 74.04 110.044 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.401 ' HG3' ' HG3' ' A' ' 71' ' ' MET . 42.3 mt-10 -93.79 -174.79 3.55 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.812 -0.631 . . . . 71.22 110.173 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 38.5 t70 . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.608 -0.711 . . . . 62.35 109.974 179.473 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.724 0 N-CA-C 111.702 -0.559 . . . . 51.44 111.702 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.9 m -64.14 105.22 0.84 Allowed 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.808 0.337 . . . . 75.52 110.297 175.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -72.3 102.39 3.11 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.597 -0.52 . . . . 75.34 109.597 177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 65.2 mtt -104.96 161.31 14.32 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.999 -0.546 . . . . 71.13 111.123 -174.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.4 m -149.23 87.74 1.54 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.688 -0.687 . . . . 73.33 109.797 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -61.65 -48.46 80.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.22 0.533 . . . . 73.13 110.494 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.561 ' HB2' ' HD2' ' A' ' 9' ' ' PHE . 8.8 p30 -120.43 135.69 24.72 Favored Pre-proline 0 C--N 1.327 -0.37 0 N-CA-C 109.672 -0.492 . . . . 71.44 109.672 174.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -89.51 10.09 3.27 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.684 2.256 . . . . 72.03 112.428 176.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.561 ' HD2' ' HB2' ' A' ' 7' ' ' ASN . 73.5 m-85 -84.36 -31.14 24.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.105 -0.498 . . . . 74.45 110.91 -175.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.421 ' HB3' ' O ' ' A' ' 9' ' ' PHE . 20.5 t70 73.53 -52.74 0.7 Allowed 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 115.637 -0.711 . . . . 73.42 112.165 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -75.92 76.58 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.763 0.792 . . . . 71.44 110.647 -178.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 21.9 t0 -102.22 97.21 7.53 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 107.486 -1.301 . . . . 73.51 107.486 172.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -124.27 170.0 11.2 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.349 -0.387 . . . . 55.12 110.797 -170.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 86.38 -147.39 21.46 Favored Glycine 0 N--CA 1.446 -0.636 0 N-CA-C 111.7 -0.56 . . . . 51.13 111.7 -179.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.21 164.8 11.79 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 120.859 0.362 . . . . 53.33 110.304 177.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.659 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.5 OUTLIER -146.3 145.74 30.46 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.868 -0.605 . . . . 61.53 109.374 -176.653 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.458 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.1 m-85 -121.37 157.47 30.39 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.834 0.349 . . . . 73.11 110.504 -178.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 51.8 t -90.72 97.48 7.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 109.016 -0.735 . . . . 72.22 109.016 172.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.9 tp -100.22 137.77 38.21 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.314 -0.857 . . . . 73.41 110.17 -172.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 80.3 t -131.47 134.62 60.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-O 120.931 0.396 . . . . 65.21 110.52 178.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.2 t30 -117.99 152.59 35.2 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.736 -0.839 . . . . 61.42 108.736 175.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -62.85 -32.31 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.274 0.559 . . . . 75.41 110.63 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -88.07 12.48 13.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.771 -0.649 . . . . 75.54 110.374 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -135.81 -166.71 1.9 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 108.818 -0.808 . . . . 72.21 108.818 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG3' ' N ' ' A' ' 26' ' ' HIS . 4.0 pt20 -129.39 -52.79 1.18 Allowed 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 120.535 0.207 . . . . 74.12 110.659 177.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.481 ' N ' ' HG3' ' A' ' 25' ' ' GLN . 49.7 m-70 -162.92 127.98 3.14 Favored 'General case' 0 N--CA 1.463 0.198 0 C-N-CA 123.436 0.695 . . . . 71.22 109.231 -177.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 65.5 m -135.5 131.66 36.35 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 120.86 0.362 . . . . 70.05 110.914 178.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.419 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -84.73 102.34 12.92 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.877 -0.786 . . . . 62.1 108.877 171.821 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.411 ' CD1' HG12 ' A' ' 35' ' ' ILE . 76.3 t-105 -107.65 115.77 58.63 Favored Pre-proline 0 C--N 1.32 -0.711 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.229 -172.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.494 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 67.7 Cg_endo -77.19 143.02 22.11 Favored 'Trans proline' 0 N--CA 1.458 -0.594 0 C-N-CA 122.596 2.197 . . . . 73.54 112.059 178.591 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.0 m -75.2 1.87 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.031 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 42.3 t80 -63.31 -27.66 69.48 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.622 -0.881 . . . . 63.22 108.622 173.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -110.64 152.23 26.74 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.219 -0.9 . . . . 74.2 109.594 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -82.06 143.6 31.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.021 0.439 . . . . 73.54 110.623 -179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.411 HG12 ' CD1' ' A' ' 29' ' ' TRP . 21.5 mt -84.02 122.37 75.95 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 116.074 -0.512 . . . . 72.42 109.877 -178.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -68.96 -98.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.534 0.476 0 C-N-CA 122.914 2.409 . . . . 52.44 113.795 -174.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.63 164.53 37.13 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 122.314 -0.241 . . . . 62.32 110.826 -176.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.78 29.52 72.65 Favored Glycine 0 C--N 1.333 0.384 0 C-N-CA 120.987 -0.625 . . . . 71.31 112.389 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.566 ' HB2' HD11 ' A' ' 19' ' ' LEU . 55.5 p-90 -104.8 161.39 14.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.293 0.568 . . . . 75.23 111.84 -173.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.5 tpt180 -139.44 121.47 15.68 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.337 -0.847 . . . . 71.53 109.48 174.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 98.5 t -92.7 114.0 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.767 0.318 . . . . 71.24 110.649 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 46.9 t -79.53 -42.06 22.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 121.331 0.586 . . . . 63.24 109.813 177.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -143.71 139.33 29.43 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.37 -0.832 . . . . 72.12 108.993 178.091 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.458 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -76.57 -134.63 0.58 Allowed Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.715 -0.755 . . . . 64.42 111.95 177.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.73 98.23 11.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 122.584 1.183 . . . . 75.21 110.742 -179.234 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.659 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -120.07 165.91 14.09 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 113.219 -1.81 . . . . 74.23 108.251 173.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 7.4 m -40.34 128.48 2.36 Favored 'General case' 0 C--O 1.235 0.301 0 O-C-N 123.504 0.503 . . . . 75.44 112.059 -176.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.59 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 8.7 tpt180 -52.37 -44.65 65.39 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.892 -0.594 . . . . 64.14 110.573 -177.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.56 -44.03 89.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.513 -0.767 . . . . 71.21 111.325 177.169 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.32 -37.43 80.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.269 -0.423 . . . . 72.52 111.275 -177.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.419 ' HB3' HD21 ' A' ' 28' ' ' LEU . 71.2 m -64.52 -48.12 76.31 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-O 120.947 0.403 . . . . 53.12 110.404 177.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.556 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 97.0 mt -59.9 -43.96 94.54 Favored 'General case' 0 C--O 1.223 -0.297 0 CA-C-N 116.057 -0.52 . . . . 71.2 110.053 174.623 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -55.41 -45.56 76.68 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.252 0.549 . . . . 63.52 110.255 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -61.03 -51.53 68.82 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.138 -0.937 . . . . 62.33 111.046 -179.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 20.2 m -69.46 -40.1 79.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 N-CA-C 112.033 0.382 . . . . 74.32 112.033 -175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 5.6 mm-40 -72.63 -40.16 66.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 74.35 111.477 -176.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 44.9 mtpt -70.24 -14.38 62.59 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.91 0.337 . . . . 75.4 111.91 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.43 -20.05 64.62 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.67 -0.241 . . . . 73.12 110.701 172.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 68.0 m95 56.08 45.32 23.78 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 123.149 0.58 . . . . 74.44 111.43 178.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 29.7 p -85.27 112.88 21.17 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.929 -0.578 . . . . 72.14 110.993 179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -87.1 171.77 10.46 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.499 -0.556 . . . . 35.34 109.499 179.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 69.42 90.18 0.1 Allowed 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.417 0.687 . . . . 71.54 110.314 -175.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.46 ' HB3' ' HD2' ' A' ' 64' ' ' PRO . 83.2 mtt180 -135.3 167.47 22.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.378 -0.828 . . . . 73.24 110.59 -173.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 63' ' ' ARG . 22.2 Cg_endo -62.94 108.49 0.76 Allowed 'Trans proline' 0 N--CA 1.46 -0.47 0 C-N-CA 121.981 1.787 . . . . 50.3 110.257 169.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -56.09 106.52 0.28 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.216 -0.447 . . . . 73.1 110.939 -173.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.8 m -82.38 86.99 6.63 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.999 -0.546 . . . . 53.54 110.482 -179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 56.1 tp -150.22 135.56 18.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.045 -0.525 . . . . 63.32 110.24 -178.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 44.0 ptt85 -120.22 -39.01 2.84 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.135 -0.484 . . . . 73.4 110.12 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -161.45 138.84 8.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.056 -0.72 . . . . 51.34 109.056 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.62 119.03 25.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.074 0.464 . . . . 74.14 111.384 -175.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 54.6 tpp -122.7 107.77 12.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.0 -0.546 . . . . 51.33 109.631 177.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 48.9 t -90.84 -61.61 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.116 0.484 . . . . 74.04 110.08 -178.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -138.32 142.9 39.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.878 -0.601 . . . . 71.22 110.487 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.651 -0.704 . . . . 62.35 109.952 -178.346 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.646 -0.581 . . . . 51.44 111.646 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -123.63 128.25 49.4 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.003 0.43 . . . . 75.52 110.759 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 2.3 m170 -103.89 126.02 50.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.931 -0.577 . . . . 75.34 110.455 178.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 50.5 ttm -93.37 99.27 11.82 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.043 0.449 . . . . 71.13 110.061 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.0 t -130.06 102.09 6.11 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 108.912 -0.773 . . . . 73.33 108.912 175.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -130.33 168.88 16.22 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.122 -0.49 . . . . 73.13 110.169 -176.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.423 ' HB3' ' CD2' ' A' ' 9' ' ' PHE . 4.0 m-20 -74.34 131.81 79.92 Favored Pre-proline 0 C--N 1.322 -0.605 0 CA-C-N 116.134 -0.485 . . . . 71.44 109.749 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -74.95 31.76 0.36 Allowed 'Trans proline' 0 CA--C 1.529 0.271 0 C-N-CA 122.89 2.393 . . . . 72.03 112.83 -177.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 7' ' ' ASN . 50.5 m-85 -104.24 102.25 11.96 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.327 -0.397 . . . . 74.45 110.222 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -79.41 152.56 30.28 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.352 -0.61 . . . . 73.42 109.352 177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -61.43 130.33 45.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.973 0.416 . . . . 71.44 111.142 -173.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -92.37 163.17 13.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.106 -0.497 . . . . 73.51 110.949 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -131.81 17.75 4.69 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.344 0.592 . . . . 55.12 110.666 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -163.77 -155.75 8.4 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.213 -0.994 . . . . 51.13 112.276 -177.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.5 169.75 17.58 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.82 -0.437 . . . . 53.33 109.82 177.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.555 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -152.71 147.13 25.73 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 116.526 -0.306 . . . . 61.53 110.188 -176.645 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -118.48 154.18 32.92 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.073 -0.512 . . . . 73.11 110.217 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.586 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 70.4 t -82.13 102.89 8.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 N-CA-C 108.392 -0.966 . . . . 72.22 108.392 169.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.511 ' HG ' ' HE3' ' A' ' 39' ' ' TRP . 20.8 tp -120.98 127.88 52.2 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.642 -0.708 . . . . 73.41 109.733 -171.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.2 t -122.29 130.41 74.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.978 0.418 . . . . 65.21 110.292 -178.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 60.7 t30 -93.6 165.43 12.73 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.939 -0.763 . . . . 61.42 108.939 178.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -64.04 -45.6 88.1 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.791 0.329 . . . . 75.41 111.325 -175.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -87.05 11.31 14.03 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.756 0.312 . . . . 75.54 110.908 178.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -117.16 159.79 22.06 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.997 -0.371 . . . . 72.21 109.997 -179.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.613 ' OE1' ' HA ' ' A' ' 61' ' ' ASP . 62.1 mt-30 -108.67 -35.81 6.33 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.149 0.426 . . . . 74.12 112.149 -177.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -165.83 127.91 1.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.509 0.195 . . . . 71.22 110.725 -178.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 19' ' ' LEU . 74.3 m -150.74 144.35 25.08 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 121.251 0.548 . . . . 70.05 111.659 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.3 mm? -106.76 114.31 28.33 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.664 -0.698 . . . . 62.1 109.136 173.348 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 74.4 t-105 -108.41 120.72 45.65 Favored Pre-proline 0 C--N 1.322 -0.598 0 CA-C-N 116.423 -0.353 . . . . 74.32 110.539 -174.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 17.3 Cg_exo -66.97 135.28 37.2 Favored 'Trans proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.627 2.218 . . . . 73.54 112.406 179.386 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.8 t -75.39 -9.65 12.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 121.76 0.79 . . . . 74.32 109.933 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -72.48 -17.42 61.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.219 -0.9 . . . . 63.22 109.487 174.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.79 145.18 32.4 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.633 -0.712 . . . . 74.2 109.312 175.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -65.24 123.45 19.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.651 0.262 . . . . 73.54 110.655 -176.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 55.8 mt -75.4 115.89 49.65 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.932 -0.577 . . . . 72.42 110.725 179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.06 175.44 10.9 Favored 'Trans proline' 0 C--O 1.234 0.284 0 C-N-CA 123.0 2.467 . . . . 52.44 112.42 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -94.62 158.26 15.61 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.342 -0.39 . . . . 62.32 110.351 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 100.34 -23.29 36.44 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 111.425 -0.67 . . . . 71.31 111.425 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.511 ' HE3' ' HG ' ' A' ' 19' ' ' LEU . 32.5 m95 -86.32 147.65 25.96 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.397 -0.401 . . . . 75.23 110.001 178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.7 tmt_? -110.39 119.38 39.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.258 -0.428 . . . . 71.53 110.175 -176.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -74.66 120.79 24.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 71.24 110.457 178.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 59.0 t -99.75 -33.57 3.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.142 0.496 . . . . 63.24 110.6 179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.586 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 58.4 t60 -151.36 143.5 23.99 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.932 -0.576 . . . . 72.12 109.449 -176.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -81.99 -158.89 23.65 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.626 -0.797 . . . . 64.42 112.95 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.4 pt-20 -82.29 98.27 8.71 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.631 0.729 . . . . 75.21 111.187 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.555 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.15 165.9 25.01 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.826 -1.079 . . . . 74.23 108.237 174.686 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 24.9 m -33.82 128.2 0.37 Allowed 'General case' 0 N--CA 1.471 0.582 0 O-C-N 123.999 0.812 . . . . 75.44 112.246 -176.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 10.2 ttm180 -62.01 -42.41 99.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.467 -0.333 . . . . 64.14 110.843 -173.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.33 -41.74 80.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.457 -0.338 . . . . 71.21 110.508 176.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.56 -37.99 88.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.985 -0.552 . . . . 72.52 110.54 178.501 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.549 ' HB3' HD11 ' A' ' 28' ' ' LEU . 99.3 m -64.23 -50.02 69.67 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.901 -0.591 . . . . 53.12 110.811 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.548 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 8.7 mp -54.49 -52.05 63.13 Favored 'General case' 0 C--O 1.225 -0.186 0 CA-C-N 116.276 -0.42 . . . . 71.2 111.112 175.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -55.63 -44.35 77.05 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.985 -0.286 . . . . 63.52 111.042 179.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 69.6 t80 -58.32 -51.73 68.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.397 -0.365 . . . . 62.33 111.255 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.427 HG23 ' OE1' ' A' ' 56' ' ' GLU . 20.7 m -69.15 -39.62 79.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 111.772 0.286 . . . . 74.32 111.772 -175.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 9.3 mm-40 -72.77 -31.38 64.85 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.658 -0.246 . . . . 74.35 111.12 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -71.76 -33.96 69.09 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.696 0.284 . . . . 75.4 110.33 174.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.19 -38.25 82.69 Favored 'General case' 0 CA--C 1.52 -0.183 0 N-CA-C 108.953 -0.758 . . . . 73.12 108.953 171.254 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 6.5 t90 59.58 79.14 0.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 114.934 -1.03 . . . . 74.44 111.013 174.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 21.7 p -106.69 -4.14 19.82 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 72.14 110.397 176.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.613 ' HA ' ' OE1' ' A' ' 25' ' ' GLN . 11.5 t70 -87.32 167.1 14.36 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.837 -0.62 . . . . 35.34 110.893 -174.405 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.9 mt -69.86 -35.29 74.58 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.656 -0.702 . . . . 71.54 111.037 -178.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.409 ' HA ' ' HD2' ' A' ' 63' ' ' ARG . 21.2 tpt180 -161.46 122.67 1.62 Allowed Pre-proline 0 C--N 1.328 -0.329 0 C-N-CA 120.943 -0.303 . . . . 73.24 110.808 -179.273 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -76.2 129.12 11.03 Favored 'Trans proline' 0 C--O 1.236 0.398 0 C-N-CA 122.571 2.18 . . . . 50.3 112.429 179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 tppp? -100.55 -40.4 7.43 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.105 -0.498 . . . . 73.1 110.015 178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.2 m -73.46 88.36 1.61 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.009 -0.541 . . . . 53.54 111.017 -179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.8 tt -97.87 95.58 7.61 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.571 -0.9 . . . . 63.32 108.571 175.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -113.49 113.87 25.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.054 -0.521 . . . . 73.4 110.308 -176.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -133.94 171.29 14.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.479 -0.328 . . . . 51.34 110.245 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -155.29 143.18 19.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 74.14 110.044 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.1 tmm? -81.71 105.91 13.23 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.446 -0.575 . . . . 51.33 109.446 179.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 45.1 t -111.94 105.07 18.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.872 -0.604 . . . . 74.04 109.851 -178.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -142.22 117.39 10.08 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.836 -0.62 . . . . 71.22 110.578 -177.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 10.5 t70 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.482 -0.771 . . . . 62.35 109.933 178.236 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.767 0 N-CA-C 111.855 -0.498 . . . . 51.44 111.855 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -77.74 101.74 6.81 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.327 0.584 . . . . 75.52 110.604 179.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 8.4 p80 -131.23 25.23 4.88 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.515 0.674 . . . . 75.34 109.363 177.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 93.6 mmm -87.61 96.64 10.49 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.357 -0.838 . . . . 71.13 110.068 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.9 m -75.94 71.98 2.78 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.943 -0.572 . . . . 73.33 110.941 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 p -82.28 -40.08 22.05 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.961 -0.563 . . . . 73.13 110.112 175.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -87.99 125.72 63.47 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.689 -0.687 . . . . 71.44 109.416 173.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -75.26 13.84 1.01 Allowed 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 122.838 2.359 . . . . 72.03 113.398 -175.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 55.28 80.66 0.13 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.292 0.568 . . . . 74.45 111.648 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -104.1 127.79 51.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.138 -0.483 . . . . 73.42 110.398 178.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -123.74 -170.77 2.19 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.626 -0.879 . . . . 71.44 108.626 176.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -123.29 -39.24 2.48 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.922 -0.311 . . . . 73.51 111.185 -175.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -93.15 115.7 28.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.99 0.424 . . . . 55.12 110.936 -177.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -75.36 82.26 0.92 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.636 -0.793 . . . . 51.13 111.988 177.32 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.74 168.73 19.28 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 114.953 -0.624 . . . . 53.33 109.906 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.663 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 1.0 OUTLIER -137.81 145.72 42.66 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.171 -0.468 . . . . 61.53 110.882 -171.7 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.594 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 3.7 m-30 -120.56 156.03 32.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.98 -0.555 . . . . 73.11 110.065 177.146 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.8 t -88.77 97.36 6.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 109.182 -0.673 . . . . 72.22 109.182 174.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.567 HD11 ' HB2' ' A' ' 39' ' ' TRP . 16.0 tp -104.47 134.59 47.41 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.784 -0.644 . . . . 73.41 110.782 -172.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.408 HG22 ' HD2' ' A' ' 26' ' ' HIS . 78.5 t -130.14 139.14 52.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.121 -0.491 . . . . 65.21 110.025 176.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.526 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 27.7 t-20 -124.32 153.5 41.67 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.459 -0.571 . . . . 61.42 109.459 176.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -56.47 -38.37 71.6 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.028 0.381 . . . . 75.41 112.028 -176.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -105.31 24.35 12.24 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.019 0.438 . . . . 75.54 111.231 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 28.0 t70 -126.12 151.26 47.49 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.153 -0.476 . . . . 72.21 110.182 178.778 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -83.58 -53.63 5.53 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.969 -0.292 . . . . 74.12 110.294 -178.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.429 ' HE1' ' HB2' ' A' ' 58' ' ' ASN . 2.5 m170 -166.39 128.24 1.82 Allowed 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.248 -0.433 . . . . 71.22 110.735 175.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 66.5 m -117.53 114.31 23.26 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.167 0.508 . . . . 70.05 111.236 178.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.548 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -87.51 95.24 9.96 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 107.582 -1.266 . . . . 62.1 107.582 170.423 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -107.44 121.5 44.2 Favored Pre-proline 0 C--N 1.321 -0.636 0 CA-C-N 115.715 -0.675 . . . . 74.32 111.686 -164.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 13.8 Cg_exo -69.75 139.01 39.22 Favored 'Trans proline' 0 N--CA 1.463 -0.318 0 C-N-CA 122.972 2.448 . . . . 73.54 111.922 177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 19.4 m -71.76 -10.53 14.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.074 -0.512 . . . . 74.32 111.283 -178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.2 t80 -79.57 -11.62 59.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.392 0.615 . . . . 63.22 109.838 179.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -106.98 139.28 41.63 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.723 -0.671 . . . . 74.2 109.741 176.223 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -67.4 131.02 44.89 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.881 0.372 . . . . 73.54 110.786 -176.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 58.7 mt -78.53 133.71 62.87 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.006 -0.543 . . . . 72.42 110.492 -177.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -65.91 -164.5 0.07 OUTLIER 'Trans proline' 0 N--CA 1.475 0.42 0 C-N-CA 123.064 2.509 . . . . 52.44 112.962 177.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.13 161.19 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.445 -0.343 . . . . 62.32 110.349 177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 70.01 29.68 70.53 Favored Glycine 0 N--CA 1.453 -0.226 0 C-N-CA 120.625 -0.797 . . . . 71.31 111.889 -179.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.567 ' HB2' HD11 ' A' ' 19' ' ' LEU . 53.1 p-90 -85.79 155.26 21.08 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.192 0.52 . . . . 75.23 111.856 -175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -135.06 117.44 15.7 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.549 -0.75 . . . . 71.53 109.587 172.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.423 HG23 ' CE3' ' A' ' 39' ' ' TRP . 89.8 t -96.08 114.31 32.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.398 -0.364 . . . . 71.24 110.271 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.7 t -71.56 -46.69 61.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.323 0.583 . . . . 63.24 109.648 177.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 17.4 m-70 -154.56 155.85 35.54 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.458 -0.792 . . . . 72.12 109.665 177.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -79.18 -134.16 0.99 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.992 -0.623 . . . . 64.42 112.393 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -84.07 97.74 9.48 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 122.381 1.086 . . . . 75.21 110.44 -177.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.606 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -113.79 166.15 11.85 Favored 'General case' 0 C--N 1.309 -1.154 0 CA-C-N 113.51 -1.677 . . . . 74.23 108.427 175.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 26.2 m -44.26 127.76 5.79 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.818 0.342 . . . . 75.44 111.539 -177.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.663 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.7 tmt_? -58.56 -40.13 82.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.745 -0.661 . . . . 64.14 110.693 -174.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.55 -45.7 88.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.416 . . . . 71.21 110.747 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -69.72 -39.58 76.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.839 -0.619 . . . . 72.52 111.417 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.548 ' HB3' HD21 ' A' ' 28' ' ' LEU . 81.4 m -62.72 -50.48 70.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.671 0.272 . . . . 53.12 110.962 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.474 ' HA ' HG22 ' A' ' 55' ' ' VAL . 4.3 mm? -63.92 -37.5 87.64 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.833 0.349 . . . . 71.2 110.785 178.208 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.47 ' O ' ' HG3' ' A' ' 57' ' ' LYS . 24.9 t70 -60.53 -52.61 64.47 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.838 -0.43 . . . . 63.52 109.838 177.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.7 t80 -54.73 -50.68 67.78 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.102 -0.499 . . . . 62.33 111.734 179.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 52' ' ' LEU . 34.7 m -67.74 -40.76 84.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.687 -0.405 . . . . 74.32 111.991 -174.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -72.87 -32.97 65.78 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 111.82 0.304 . . . . 74.35 111.82 -178.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.47 ' HG3' ' O ' ' A' ' 53' ' ' ASP . 30.6 mtpp -69.01 -40.44 78.68 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 120.897 0.38 . . . . 75.4 110.727 178.283 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.473 ' N ' HD22 ' A' ' 58' ' ' ASN . 0.9 OUTLIER -83.85 0.03 49.28 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.25 -0.432 . . . . 73.12 110.465 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 90.3 t90 -80.14 118.28 21.7 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.234 -0.654 . . . . 74.44 109.234 176.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.7 m -98.5 137.45 37.15 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.213 -0.449 . . . . 72.14 110.063 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -84.04 11.65 7.59 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.365 -0.38 . . . . 35.34 110.92 -179.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 tp -77.74 50.07 0.81 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.793 0.806 . . . . 71.54 110.126 178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -117.41 89.98 33.36 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 108.154 -1.054 . . . . 73.24 108.154 176.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -88.78 146.89 5.79 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 122.566 2.177 . . . . 50.3 112.545 -178.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -66.44 91.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.763 -0.653 . . . . 73.1 109.286 174.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.0 m -82.89 129.08 34.96 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.596 -0.729 . . . . 53.54 111.202 -173.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 90.5 mt -82.28 50.62 1.64 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.46 0.648 . . . . 63.32 110.15 177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.459 HH11 ' HD3' ' A' ' 68' ' ' ARG . 1.2 tpm_? -84.21 77.15 10.02 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.398 -0.819 . . . . 73.4 109.762 -179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.9 m-20 64.49 109.88 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.442 -0.799 . . . . 51.34 110.506 -175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.97 73.81 0.88 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.008 -0.542 . . . . 74.14 111.933 -176.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 25.8 ptt? -69.5 -32.1 70.76 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 108.867 -0.79 . . . . 51.33 108.867 171.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.6 p -100.38 129.61 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 N-CA-C 108.065 -1.087 . . . . 74.04 108.065 168.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -79.15 132.44 36.56 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.933 0.397 . . . . 71.22 111.02 -173.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--O 1.25 1.08 0 CA-C-N 115.736 -0.665 . . . . 62.35 110.086 177.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 2.02 0 N-CA-C 112.321 -0.312 . . . . 51.44 112.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 p -85.01 169.28 14.14 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.781 0.325 . . . . 75.52 111.35 -177.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.5 m80 -122.2 -177.39 3.59 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.834 -0.802 . . . . 75.34 108.834 175.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.55 105.5 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.549 -0.908 . . . . 71.13 108.549 171.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -86.24 102.83 14.3 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.16 0.505 . . . . 73.33 110.48 -174.126 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.9 t -82.52 -47.27 12.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.503 -0.771 . . . . 73.13 110.973 179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -110.99 105.68 57.24 Favored Pre-proline 0 C--N 1.327 -0.378 0 N-CA-C 109.997 -0.371 . . . . 71.44 109.997 177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -91.79 24.12 0.55 Allowed 'Trans proline' 0 N--CA 1.46 -0.475 0 C-N-CA 123.384 2.723 . . . . 72.03 113.646 -174.306 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.0 m-85 -121.5 151.51 40.21 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.603 0.24 . . . . 74.45 110.531 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -84.24 93.46 8.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.081 0.467 . . . . 73.42 110.817 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -85.19 156.63 20.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.112 -0.699 . . . . 71.44 109.112 179.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -89.51 -48.79 7.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.635 0.255 . . . . 73.51 111.634 -175.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -82.93 169.51 15.95 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.019 0.438 . . . . 55.12 111.008 -177.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.05 136.88 16.35 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.911 -0.662 . . . . 51.13 112.315 -179.313 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -86.36 174.79 8.79 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 110.034 -0.358 . . . . 53.33 110.034 175.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.82 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 0.6 OUTLIER -136.17 145.46 45.79 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 110.2 -0.296 . . . . 61.53 110.2 -179.383 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.594 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 9.6 m-30 -118.33 168.21 10.84 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.313 0.578 . . . . 73.11 111.293 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.447 HG13 HG12 ' A' ' 55' ' ' VAL . 75.1 t -98.03 97.5 6.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.481 -0.782 . . . . 72.22 109.394 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.555 HD11 ' HB2' ' A' ' 39' ' ' TRP . 11.4 tp -104.76 128.49 52.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.956 -0.565 . . . . 73.41 109.911 -174.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.1 t -125.95 130.56 72.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 C-N-CA 120.766 -0.373 . . . . 65.21 110.673 178.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.635 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 43.5 t-20 -107.14 148.31 28.99 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.639 -0.875 . . . . 61.42 108.639 176.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.548 ' HA ' ' HG3' ' A' ' 65' ' ' LYS . 34.8 t70 -57.02 -36.64 70.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.797 0.332 . . . . 75.41 111.699 -177.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -100.46 16.81 23.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.991 0.424 . . . . 75.54 111.015 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.635 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 13.2 t70 -121.74 167.56 12.82 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.167 -0.679 . . . . 72.21 109.167 177.049 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.43 ' NE2' ' HB ' ' A' ' 60' ' ' THR . 8.1 mm100 -94.61 -54.75 3.39 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.306 0.575 . . . . 74.12 109.984 -178.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.476 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 20.7 p-80 -167.97 128.06 1.33 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.363 -0.835 . . . . 71.22 110.058 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 73.1 m -119.18 109.74 16.22 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 120.998 0.428 . . . . 70.05 111.205 178.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.551 HD21 ' HB3' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -77.16 93.99 4.01 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.11 -1.07 . . . . 62.1 108.11 172.775 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 15.7 t-105 -107.78 119.54 50.0 Favored Pre-proline 0 C--N 1.319 -0.748 0 CA-C-N 116.107 -0.497 . . . . 74.32 110.757 -167.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.82 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 16.5 Cg_exo -68.01 148.19 75.33 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.738 2.292 . . . . 73.54 111.889 178.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 17.2 m -76.77 -3.67 5.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.373 0.606 . . . . 74.32 110.315 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -85.38 -12.42 52.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.19 -0.914 . . . . 63.22 109.27 174.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.31 163.91 12.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.403 -0.817 . . . . 74.2 110.679 -178.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.29 126.13 28.6 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.872 -0.603 . . . . 73.54 111.379 -178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 20.5 mm -95.13 114.2 63.18 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.223 -0.444 . . . . 72.42 109.843 173.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_endo -84.47 -153.3 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.25 0 C-N-CA 123.337 2.691 . . . . 52.44 111.712 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -116.93 153.62 32.26 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.799 -0.445 . . . . 62.32 109.799 171.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.633 ' CA ' HD23 ' A' ' 67' ' ' LEU . . . 97.46 29.89 7.6 Favored Glycine 0 CA--C 1.508 -0.355 0 C-N-CA 120.535 -0.841 . . . . 71.31 112.04 -179.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.555 ' HB2' HD11 ' A' ' 19' ' ' LEU . 65.2 p-90 -117.94 165.78 13.3 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.203 0.525 . . . . 75.23 111.382 -174.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -145.97 113.92 6.51 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.416 -0.811 . . . . 71.53 109.138 170.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 96.6 t -76.9 100.62 2.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 109.216 -0.661 . . . . 71.24 109.216 175.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 50.1 t -77.62 -32.1 17.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.829 -0.623 . . . . 63.24 110.649 -176.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.574 ' HE1' ' HB2' ' A' ' 46' ' ' ALA . 63.9 t-80 -142.83 142.03 31.75 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.768 -0.651 . . . . 72.12 109.746 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.78 -154.91 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 121.03 -0.605 . . . . 64.42 113.156 -179.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -86.3 97.85 10.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 122.462 1.125 . . . . 75.21 111.158 -173.465 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.609 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.52 166.54 14.02 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-N 113.79 -1.55 . . . . 74.23 109.028 173.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 14.4 m -39.48 128.52 1.89 Allowed 'General case' 0 C--O 1.235 0.323 0 O-C-N 123.95 0.781 . . . . 75.44 111.59 -178.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.404 HH11 HD12 ' A' ' 28' ' ' LEU . 14.6 tpt180 -47.53 -49.12 27.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.394 -0.821 . . . . 64.14 111.938 -174.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.33 -38.91 81.51 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.786 0.326 . . . . 71.21 111.847 -178.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -71.09 -40.02 71.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.076 -0.511 . . . . 72.52 111.0 -178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.551 ' HB3' HD21 ' A' ' 28' ' ' LEU . 78.7 m -65.93 -40.35 91.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.373 -0.376 . . . . 53.12 110.493 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.475 HD12 ' HG ' ' A' ' 28' ' ' LEU . 7.6 mp -60.84 -49.98 75.28 Favored 'General case' 0 C--O 1.225 -0.198 0 CA-C-N 116.298 -0.41 . . . . 71.2 110.619 176.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -56.94 -45.06 83.04 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.338 0.59 . . . . 63.52 110.594 178.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.0 t80 -60.32 -45.4 93.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.408 -0.815 . . . . 62.33 111.431 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.476 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 25.4 m -73.17 -34.86 45.88 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 C-N-CA 121.006 -0.278 . . . . 74.32 111.716 -177.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -71.11 -36.03 72.0 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.594 -0.276 . . . . 74.35 111.128 -178.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -71.82 -31.42 66.52 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.499 0.555 . . . . 75.4 112.499 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -82.19 -31.37 30.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.821 0.343 . . . . 73.12 110.647 178.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 17.2 t90 69.33 -66.29 0.26 Allowed 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 115.199 -0.91 . . . . 74.44 112.866 174.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.43 ' HB ' ' NE2' ' A' ' 25' ' ' GLN . 10.0 t -134.52 -54.03 0.83 Allowed 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.396 0.888 . . . . 72.14 113.396 -173.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.414 ' N ' HG23 ' A' ' 60' ' ' THR . 23.0 t70 -135.33 146.32 48.31 Favored 'General case' 0 C--N 1.331 -0.219 0 O-C-N 121.46 -0.775 . . . . 35.34 112.719 -172.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -157.12 1.58 0.12 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.652 -1.158 . . . . 71.54 109.389 176.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.507 ' HD2' ' HD2' ' A' ' 64' ' ' PRO . 17.2 tpt180 -177.6 136.51 0.38 Allowed Pre-proline 0 C--N 1.332 -0.187 0 CA-C-N 116.001 -0.545 . . . . 73.24 109.77 -169.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.507 ' HD2' ' HD2' ' A' ' 63' ' ' ARG . 75.3 Cg_exo -50.5 140.0 36.6 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.974 2.449 . . . . 50.3 112.748 176.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.548 ' HG3' ' HA ' ' A' ' 22' ' ' ASP . 8.6 ptpp? -152.03 148.17 27.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.903 -0.59 . . . . 73.1 109.417 -178.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 8.1 t -172.96 -175.65 1.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.865 0.364 . . . . 53.54 110.609 -179.552 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.633 HD23 ' CA ' ' A' ' 38' ' ' GLY . 2.5 tm? -111.25 111.9 23.29 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 63.32 109.87 -178.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.4 ttp180 -103.44 -28.97 11.47 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.308 -0.627 . . . . 73.4 109.308 174.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.0 t70 65.44 99.32 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.047 -0.978 . . . . 51.34 111.528 179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -159.96 148.53 17.27 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.601 -0.727 . . . . 74.14 109.663 178.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -96.88 137.43 35.97 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 109.811 -0.441 . . . . 51.33 109.811 178.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 37.0 t -108.8 90.52 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.048 0.452 . . . . 74.04 109.783 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -160.01 113.29 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.48 -0.782 . . . . 71.22 109.675 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.495 -0.764 . . . . 62.35 110.357 -179.844 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.77 -0.532 . . . . 51.44 111.77 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 m -71.35 119.36 15.38 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.75 0.309 . . . . 75.52 110.567 -179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -157.8 132.92 8.74 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.382 -0.372 . . . . 75.34 110.145 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 47.1 tpp -113.38 81.78 1.56 Allowed 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.086 -0.709 . . . . 71.13 109.086 176.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.4 m -80.97 103.86 11.08 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.591 -0.732 . . . . 73.33 110.634 -174.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.5 m -108.89 103.39 12.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.882 -0.599 . . . . 73.13 109.836 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -118.05 152.08 49.88 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 115.956 -0.566 . . . . 71.44 110.401 -177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_endo -74.5 39.79 0.58 Allowed 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.032 2.488 . . . . 72.03 112.983 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.43 ' HB2' ' H ' ' A' ' 10' ' ' ASP . 44.1 m-85 -123.52 -94.16 0.5 Allowed 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.487 -0.56 . . . . 74.45 109.487 178.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.43 ' H ' ' HB2' ' A' ' 9' ' ' PHE . 4.7 p-10 -168.56 166.56 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.833 -0.803 . . . . 73.42 108.833 176.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -150.52 167.2 27.92 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 110.086 -0.339 . . . . 71.44 110.086 -177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -84.96 -9.13 58.38 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.545 -0.298 . . . . 73.51 111.43 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.1 m-80 -84.08 18.02 2.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 55.12 111.261 177.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -82.55 92.74 1.61 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.565 -0.826 . . . . 51.13 112.081 179.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.28 159.95 33.69 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.087 0.47 . . . . 53.33 110.45 178.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.679 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.8 OUTLIER -123.46 145.12 49.06 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.748 -0.66 . . . . 61.53 110.131 -174.302 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.432 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.2 m-85 -118.97 158.44 25.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.409 -0.36 . . . . 73.11 110.097 179.295 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -93.58 97.65 7.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 N-CA-C 108.996 -0.742 . . . . 72.22 108.996 175.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.552 HD11 ' HB2' ' A' ' 39' ' ' TRP . 25.6 tp -110.73 154.47 23.84 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.705 -0.679 . . . . 73.41 110.514 -172.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 82.4 t -131.82 131.21 62.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.818 0 CA-C-N 115.638 -0.71 . . . . 65.21 109.588 173.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -115.59 148.55 39.47 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.879 -0.786 . . . . 61.42 108.879 173.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -66.93 -20.56 65.92 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 112.574 0.583 . . . . 75.41 112.574 -169.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -100.99 14.24 32.59 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.914 0.388 . . . . 75.54 111.71 -175.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -142.42 -163.42 1.6 Allowed 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 108.146 -1.057 . . . . 72.21 108.146 174.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.468 ' HB2' HG23 ' A' ' 60' ' ' THR . 20.8 mt-30 -101.89 -52.81 3.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.297 0.57 . . . . 74.12 109.889 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.575 ' HB2' HG21 ' A' ' 60' ' ' THR . 58.7 m-70 -154.77 163.64 39.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.768 -0.827 . . . . 71.22 108.768 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.2 m -148.44 128.36 13.51 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-O 120.762 0.315 . . . . 70.05 111.385 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.72 98.95 11.43 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.453 -0.943 . . . . 62.1 108.453 169.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 69.4 t-105 -107.58 124.37 35.21 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 115.731 -0.668 . . . . 74.32 110.748 -169.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -67.86 134.51 32.48 Favored 'Trans proline' 0 N--CA 1.464 -0.253 0 C-N-CA 122.584 2.189 . . . . 73.54 112.116 178.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 8.3 p -67.91 -16.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-O 121.007 0.432 . . . . 74.32 110.959 -177.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 76.0 t80 -74.3 -14.59 60.92 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.014 0.435 . . . . 63.22 110.529 177.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -103.44 141.14 36.48 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.292 -0.413 . . . . 74.2 110.346 -179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -67.9 134.72 51.3 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.036 -0.529 . . . . 73.54 110.842 178.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.1 mt -79.61 120.09 79.04 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.11 -0.495 . . . . 72.42 110.246 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_endo -68.19 -99.0 0.01 OUTLIER 'Trans proline' 0 CA--C 1.539 0.74 0 C-N-CA 123.059 2.506 . . . . 52.44 114.539 -171.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.51 159.37 44.18 Favored 'General case' 0 C--O 1.236 0.38 0 O-C-N 121.964 -0.46 . . . . 62.32 111.232 -174.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.58 30.02 76.48 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.646 -0.788 . . . . 71.31 111.349 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.552 ' HB2' HD11 ' A' ' 19' ' ' LEU . 49.5 p-90 -95.97 139.22 32.48 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.67 0.748 . . . . 75.23 112.572 -170.517 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.418 ' HD2' ' O ' ' A' ' 39' ' ' TRP . 3.2 mpt_? -124.72 114.8 19.78 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 114.833 -1.076 . . . . 71.53 109.256 173.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 86.3 t -83.95 112.11 20.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.98 0.419 . . . . 71.24 110.136 178.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 30.2 t -80.2 -40.36 20.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.062 -0.517 . . . . 63.24 109.65 179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -157.76 156.15 31.08 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.426 -0.807 . . . . 72.12 109.867 178.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.432 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -78.2 -139.81 1.49 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.763 -0.732 . . . . 64.42 111.684 177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.634 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 1.7 pp20? -78.62 97.93 5.98 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 122.159 0.98 . . . . 75.21 110.204 177.342 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.574 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -111.81 166.41 11.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 114.435 -1.257 . . . . 74.23 109.155 178.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.2 m -45.64 128.34 8.36 Favored 'General case' 0 CA--C 1.536 0.419 0 O-C-N 123.401 0.438 . . . . 75.44 111.909 -176.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.679 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 6.1 tpt180 -52.54 -52.4 55.06 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 115.79 -0.641 . . . . 64.14 111.748 -176.363 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -58.64 -45.51 89.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 71.21 110.995 -179.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -40.33 93.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 72.52 111.405 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 83.6 m -62.4 -50.39 71.73 Favored 'General case' 0 C--O 1.238 0.448 0 CA-C-O 120.79 0.329 . . . . 53.12 110.739 178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 11.1 mp -59.51 -47.69 84.54 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.171 -0.468 . . . . 71.2 110.63 176.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.61 -42.91 75.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.128 0.489 . . . . 63.52 110.455 178.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.7 -51.56 67.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.44 -0.8 . . . . 62.33 111.579 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.68 -34.75 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 111.807 0.299 . . . . 74.32 111.807 -176.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.533 ' HG2' ' HA ' ' A' ' 62' ' ' LEU . 50.1 mt-10 -72.16 -32.56 66.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.33 0.11 . . . . 74.35 111.1 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.2 mttp -62.62 -28.07 69.65 Favored 'General case' 0 N--CA 1.462 0.146 0 CA-C-O 120.963 0.411 . . . . 75.4 110.38 172.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.429 ' N ' HD22 ' A' ' 58' ' ' ASN . 0.9 OUTLIER -90.75 14.75 12.65 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.815 -0.63 . . . . 73.12 110.474 178.533 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 11.3 m-90 62.06 29.26 17.59 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.748 -0.66 . . . . 74.44 111.754 175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.575 HG21 ' HB2' ' A' ' 26' ' ' HIS . 22.7 m -94.71 94.9 8.39 Favored 'General case' 0 C--N 1.323 -0.57 0 C-N-CA 120.955 -0.298 . . . . 72.14 110.765 -179.65 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.3 t70 53.05 44.13 30.8 Favored 'General case' 0 N--CA 1.465 0.275 0 O-C-N 123.982 0.801 . . . . 35.34 110.57 178.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.62 HD23 ' H ' ' A' ' 62' ' ' LEU . 2.3 pt? -64.2 132.62 50.9 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.798 -0.637 . . . . 71.54 110.793 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 20.9 mmt180 -120.87 114.15 32.64 Favored Pre-proline 0 C--N 1.322 -0.589 0 CA-C-N 116.031 -0.531 . . . . 73.24 110.69 -176.05 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 63' ' ' ARG . 36.3 Cg_endo -68.16 85.52 0.42 Allowed 'Trans proline' 0 N--CA 1.458 -0.611 0 C-N-CA 122.236 1.957 . . . . 50.3 111.969 176.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.5 pttm -95.22 -5.47 43.76 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.323 -0.853 . . . . 73.1 110.735 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 32.1 t -166.0 157.58 13.88 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.917 -0.772 . . . . 53.54 108.917 177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -111.83 -43.8 3.56 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.039 -0.726 . . . . 63.32 109.039 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -125.9 94.83 4.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.016 -0.538 . . . . 73.4 110.189 179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -108.41 147.16 32.01 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.386 -0.598 . . . . 51.34 109.386 177.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.38 92.89 5.25 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.017 0.437 . . . . 74.14 112.118 -172.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 64.2 mtt -104.84 65.13 0.74 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 108.752 -0.833 . . . . 51.33 108.752 169.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 9.1 p -93.83 -7.02 10.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.139 -0.937 . . . . 74.04 110.239 -173.198 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 67.84 21.32 9.11 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.463 -0.79 . . . . 71.22 111.5 175.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.6 t70 . . . . . 0 C--O 1.246 0.869 0 C-N-CA 123.45 0.7 . . . . 62.35 111.971 177.216 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.63 0 N-CA-C 112.155 -0.378 . . . . 51.44 112.155 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 t -112.8 156.3 23.1 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.851 -0.426 . . . . 75.52 109.851 178.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -152.44 49.79 0.76 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.598 -0.519 . . . . 75.34 109.598 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 22.1 ptt? 41.56 46.24 3.03 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 115.115 -0.948 . . . . 71.13 111.669 -174.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.9 -31.29 23.77 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.954 -1.021 . . . . 73.33 110.245 176.268 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.0 m -73.06 121.83 20.81 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.565 -0.743 . . . . 73.13 110.252 177.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -62.7 130.09 93.42 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.065 0.459 . . . . 71.44 110.192 177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -79.22 30.38 0.47 Allowed 'Trans proline' 0 C--O 1.233 0.275 0 C-N-CA 123.234 2.622 . . . . 72.03 113.208 -174.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -93.76 81.25 4.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.966 0.413 . . . . 74.45 110.426 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -97.89 157.52 16.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.416 -0.587 . . . . 73.42 109.416 175.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -134.17 -39.28 0.85 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.372 -0.376 . . . . 71.44 110.293 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -75.66 112.63 12.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.369 -0.378 . . . . 73.51 110.068 177.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.7 m-80 -90.3 133.52 34.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.082 -0.508 . . . . 55.12 110.709 -177.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 123.64 126.9 3.16 Favored Glycine 0 N--CA 1.445 -0.729 0 C-N-CA 120.63 -0.795 . . . . 51.13 112.246 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -108.89 162.07 14.54 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.18 -0.304 . . . . 53.33 110.18 178.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.625 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 0.7 OUTLIER -128.21 145.69 50.96 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.372 -0.376 . . . . 61.53 110.472 -178.682 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.899 ' HE1' ' HG3' ' A' ' 45' ' ' GLU . 6.6 m-30 -115.57 164.13 14.76 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.091 -0.504 . . . . 73.11 110.325 177.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 46.7 t -93.16 100.23 10.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.879 -0.6 . . . . 72.22 109.501 174.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 39' ' ' TRP . 14.9 tp -109.34 128.0 54.76 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.416 -0.587 . . . . 73.41 109.416 -176.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.664 HG21 HD23 ' A' ' 62' ' ' LEU . 58.5 t -125.24 132.45 71.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.062 0.458 . . . . 65.21 111.013 -178.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.431 ' H ' ' HB3' ' A' ' 24' ' ' ASP . 28.0 t-20 -92.63 160.37 15.04 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.372 -0.831 . . . . 61.42 109.129 179.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -64.38 -19.72 65.67 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.26 0.552 . . . . 75.41 110.721 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -102.34 2.19 36.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.082 -0.508 . . . . 75.54 110.894 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.431 ' HB3' ' H ' ' A' ' 21' ' ' ASN . 14.6 t70 -119.32 166.6 12.81 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.048 -0.524 . . . . 72.21 110.838 -171.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.612 ' HG2' ' HA ' ' A' ' 61' ' ' ASP . 59.7 mt-30 -113.08 -35.07 5.51 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.113 -0.494 . . . . 74.12 110.651 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.504 ' HB2' HG21 ' A' ' 55' ' ' VAL . 46.6 p-80 -166.21 127.92 1.85 Allowed 'General case' 0 C--O 1.232 0.166 0 CA-C-N 116.585 -0.28 . . . . 71.22 111.633 -178.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.6 m -145.71 136.62 24.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.256 0.551 . . . . 70.05 110.816 174.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -99.9 114.65 28.02 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.488 -0.56 . . . . 62.1 109.488 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 35.0 t-105 -118.07 122.77 30.09 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 116.081 -0.509 . . . . 74.32 110.097 -173.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.521 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 34.4 Cg_endo -65.53 144.34 78.79 Favored 'Trans proline' 0 N--CA 1.464 -0.258 0 C-N-CA 122.524 2.149 . . . . 73.54 112.317 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 29.1 m -74.35 -1.75 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.144 0.497 . . . . 74.32 111.113 -178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -96.57 5.05 51.55 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.754 -0.657 . . . . 63.22 109.503 178.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.6 163.78 13.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.719 -0.673 . . . . 74.2 111.007 -178.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -75.98 140.26 41.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.983 -0.553 . . . . 73.54 110.971 -178.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.7 mt -116.61 117.4 38.03 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 116.234 -0.439 . . . . 72.42 109.834 176.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -86.33 -104.34 0.0 OUTLIER 'Trans proline' 0 CA--C 1.54 0.807 0 C-N-CA 123.053 2.502 . . . . 52.44 113.753 -172.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.49 164.98 33.54 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.791 -0.448 . . . . 62.32 109.791 -177.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 73.79 29.63 62.91 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.573 -0.822 . . . . 71.31 111.89 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.543 ' HB2' HD11 ' A' ' 19' ' ' LEU . 63.7 p-90 -119.14 156.08 30.43 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.143 0.497 . . . . 75.23 111.587 -174.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.523 ' HG3' ' HB3' ' A' ' 64' ' ' PRO . 15.9 mmm180 -137.02 129.81 30.48 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.554 -0.748 . . . . 71.53 110.274 172.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.13 105.86 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 N-CA-C 109.284 -0.636 . . . . 71.24 109.284 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 41.3 t -77.03 -36.32 24.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 115.823 -0.626 . . . . 63.24 110.595 -176.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.534 ' HE1' ' HB2' ' A' ' 46' ' ' ALA . 64.5 t-80 -154.88 150.26 27.25 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.891 -0.595 . . . . 72.12 109.672 -177.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -78.56 -151.05 5.33 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 121.086 -0.578 . . . . 64.42 112.431 177.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.899 ' HG3' ' HE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.12 98.26 8.59 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 122.499 1.143 . . . . 75.21 111.939 -173.053 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.625 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -121.98 165.87 15.33 Favored 'General case' 0 C--N 1.304 -1.404 0 CA-C-N 113.517 -1.674 . . . . 74.23 108.644 170.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 33.9 m -43.91 130.38 5.78 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.516 0.51 . . . . 75.44 111.386 -176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -50.9 -49.4 59.51 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.965 -0.562 . . . . 64.14 111.509 -176.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.8 -37.09 86.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 71.21 110.882 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.81 -37.21 81.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.077 -0.511 . . . . 72.52 110.651 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.455 ' O ' HG22 ' A' ' 55' ' ' VAL . 84.9 m -65.81 -45.84 80.84 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.273 -0.421 . . . . 53.12 110.63 177.034 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.405 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 74.4 mt -59.23 -49.59 77.28 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.233 -0.44 . . . . 71.2 110.883 176.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -58.42 -45.48 88.37 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.234 0.54 . . . . 63.52 110.61 179.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.2 t80 -56.32 -51.68 67.35 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.22 -0.9 . . . . 62.33 111.31 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.504 HG21 ' HB2' ' A' ' 26' ' ' HIS . 28.7 m -72.58 -34.89 49.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 112.27 0.47 . . . . 74.32 112.27 -175.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 42.1 mt-10 -72.1 -29.98 64.63 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.912 -0.315 . . . . 74.35 110.643 179.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.5 mttp -74.11 -15.21 61.05 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.524 -0.307 . . . . 75.4 111.474 175.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.41 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 0.9 OUTLIER -71.68 -45.05 63.09 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.012 -0.736 . . . . 73.12 109.012 171.368 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 53.6 t-105 58.69 26.57 14.74 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.421 -0.809 . . . . 74.44 111.529 169.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 16.7 m -124.37 147.12 48.44 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 116.343 -0.39 . . . . 72.14 110.299 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.612 ' HA ' ' HG2' ' A' ' 25' ' ' GLN . 16.0 t70 -67.06 96.64 0.45 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 108.265 -1.013 . . . . 35.34 108.265 173.223 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.664 HD23 HG21 ' A' ' 20' ' ' VAL . 32.6 tp -81.72 101.83 10.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.805 -0.634 . . . . 71.54 111.762 -166.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 36.2 mtp180 -117.58 140.61 27.71 Favored Pre-proline 0 C--N 1.321 -0.655 0 CA-C-N 115.374 -0.83 . . . . 73.24 109.247 178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.523 ' HB3' ' HG3' ' A' ' 40' ' ' ARG . 25.9 Cg_endo -62.5 130.41 29.9 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.661 2.24 . . . . 50.3 112.883 -177.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -87.6 148.82 24.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.827 -0.624 . . . . 73.1 109.961 175.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 13.5 t -78.87 96.47 5.68 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.219 0.533 . . . . 53.54 110.297 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.2 pp -139.45 158.47 44.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.98 -0.555 . . . . 63.32 110.115 179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 68' ' ' ARG . 33.1 mtt180 -130.38 122.17 27.33 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.896 -0.409 . . . . 73.4 109.896 178.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -96.71 142.47 28.7 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.938 0.399 . . . . 51.34 110.843 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -94.22 87.41 5.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.764 -0.653 . . . . 74.14 110.124 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -89.44 95.98 10.51 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.737 -0.838 . . . . 51.33 108.737 179.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 12.8 p -115.54 140.0 39.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.098 -0.501 . . . . 74.04 110.696 -175.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.439 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER -104.48 152.75 21.98 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.952 -0.567 . . . . 71.22 110.767 -176.639 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.9 t70 . . . . . 0 C--O 1.245 0.82 0 N-CA-C 108.233 -1.025 . . . . 62.35 108.233 178.567 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.552 0 N-CA-C 111.846 -0.502 . . . . 51.44 111.846 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.6 m -70.3 104.92 2.81 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.936 0.398 . . . . 75.52 111.355 -177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -130.05 131.22 45.72 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 109.369 -0.604 . . . . 75.34 109.369 176.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -99.22 97.56 8.63 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.036 0.446 . . . . 71.13 111.891 -171.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.8 t -86.52 99.65 11.83 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.486 -0.931 . . . . 73.33 108.486 171.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.608 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 2.0 m -80.22 0.56 32.02 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.916 -0.584 . . . . 73.13 111.752 -172.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -104.67 99.79 20.12 Favored Pre-proline 0 C--N 1.328 -0.367 0 O-C-N 122.345 -0.222 . . . . 71.44 110.942 -178.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.608 ' HD3' ' O ' ' A' ' 6' ' ' THR . 2.0 Cg_endo -84.99 -27.76 1.1 Allowed 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 122.96 2.44 . . . . 72.03 111.657 174.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 76.9 m-85 -107.67 94.87 5.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.765 -0.652 . . . . 74.45 110.486 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -85.35 114.51 22.47 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.006 -0.739 . . . . 73.42 109.006 172.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -62.06 106.59 0.74 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 109.611 -0.514 . . . . 71.44 109.611 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -93.65 128.58 39.89 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.46 0.648 . . . . 73.51 112.397 -170.569 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 48.2 t-20 -144.02 96.43 2.89 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.204 -0.907 . . . . 55.12 108.59 170.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -162.91 -150.03 5.89 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.911 -0.662 . . . . 51.13 111.916 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.71 173.75 12.3 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.096 0.474 . . . . 53.33 111.453 -179.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.63 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.5 OUTLIER -146.09 145.84 30.69 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.682 -0.69 . . . . 61.53 109.876 -175.462 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.514 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.8 m-85 -113.23 158.28 20.68 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-O 120.831 0.348 . . . . 73.11 110.793 179.38 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.4 t -89.56 97.39 7.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 N-CA-C 108.852 -0.796 . . . . 72.22 108.852 174.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.58 HD11 ' HB2' ' A' ' 39' ' ' TRP . 28.2 tp -108.37 137.01 47.06 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.864 -0.607 . . . . 73.41 110.631 -174.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.3 t -132.56 145.88 33.76 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 N-CA-C 109.114 -0.698 . . . . 65.21 109.114 176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 18.2 t30 -116.17 -169.56 1.63 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.246 -0.65 . . . . 61.42 109.246 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -78.8 -43.68 24.81 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.42 -0.512 . . . . 75.41 111.147 -179.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.444 ' CD ' ' H ' ' A' ' 23' ' ' GLU . 0.0 OUTLIER -102.68 -7.05 22.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.958 0.408 . . . . 75.54 110.987 -179.32 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -112.33 126.94 55.8 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.587 -0.894 . . . . 72.21 108.587 174.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -103.95 4.1 34.28 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.69 0.626 . . . . 74.12 112.69 -170.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -165.66 127.66 2.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.982 0.42 . . . . 71.22 111.369 174.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.9 m -150.21 107.1 3.55 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.223 -0.444 . . . . 70.05 110.534 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.487 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.4 mm? -79.31 98.51 6.71 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.195 -1.039 . . . . 62.1 108.195 171.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.1 t-105 -107.47 117.42 55.92 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 115.371 -0.832 . . . . 74.32 110.544 -169.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.479 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 23.0 Cg_exo -64.96 150.65 87.82 Favored 'Trans proline' 0 N--CA 1.463 -0.308 0 C-N-CA 122.879 2.386 . . . . 73.54 112.382 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.431 ' O ' ' HB3' ' A' ' 32' ' ' PHE . 27.7 m -76.34 -169.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.569 . . . . 74.32 110.733 178.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.431 ' HB3' ' O ' ' A' ' 31' ' ' VAL . 67.8 t80 74.11 -49.32 0.67 Allowed 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.589 0.555 . . . . 63.22 111.07 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.28 154.33 41.71 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 120.827 0.346 . . . . 74.2 111.168 178.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -81.12 143.45 32.4 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.89 0.376 . . . . 73.54 111.037 -178.012 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 56.0 mt -98.73 140.7 21.96 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 115.914 -0.584 . . . . 72.42 110.222 -176.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -62.18 -159.97 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 123.356 2.704 . . . . 52.44 113.083 175.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -118.7 148.2 43.01 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 120.879 0.371 . . . . 62.32 111.215 -177.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 82.85 29.78 33.93 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.892 -0.67 . . . . 71.31 112.467 177.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.58 ' HB2' HD11 ' A' ' 19' ' ' LEU . 29.4 p-90 -87.24 174.62 8.48 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.31 0.576 . . . . 75.23 112.207 -174.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -139.5 113.98 9.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.162 -0.926 . . . . 71.53 109.179 173.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.526 HG23 ' CE3' ' A' ' 39' ' ' TRP . 82.3 t -94.02 120.87 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.697 0.284 . . . . 71.24 110.272 178.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 99.9 t -83.25 -40.84 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.295 -0.411 . . . . 63.24 110.712 -179.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -166.59 156.06 11.27 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 116.036 -0.529 . . . . 72.12 110.025 -178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.482 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -72.53 -150.67 1.21 Allowed Glycine 0 N--CA 1.452 -0.28 0 O-C-N 123.496 0.497 . . . . 64.42 112.979 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.514 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -82.03 97.85 8.34 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.659 0.742 . . . . 75.21 111.186 -173.468 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.585 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -109.67 166.46 10.88 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.045 -1.434 . . . . 74.23 108.478 173.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 12.9 m -44.09 128.14 5.73 Favored 'General case' 0 CA--C 1.532 0.268 0 O-C-N 123.159 0.287 . . . . 75.44 111.626 -177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.63 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 4.0 tmt_? -52.82 -47.55 67.57 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 116.0 -0.546 . . . . 64.14 111.014 -176.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.94 -38.55 88.88 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 115.718 -0.673 . . . . 71.21 111.1 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.43 -30.81 67.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.549 -0.296 . . . . 72.52 110.813 -178.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.487 ' HB3' HD11 ' A' ' 28' ' ' LEU . 78.1 m -69.61 -48.08 61.29 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 116.435 -0.348 . . . . 53.12 110.109 176.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 76.8 mt -57.15 -44.46 83.45 Favored 'General case' 0 CA--C 1.529 0.14 0 CA-C-N 116.348 -0.387 . . . . 71.2 110.535 172.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -55.21 -44.71 75.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.785 -0.643 . . . . 63.52 110.256 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -62.48 -51.42 67.55 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.098 -0.955 . . . . 62.33 111.156 -177.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.6 m -72.71 -34.89 48.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.11 0.411 . . . . 74.32 112.11 -175.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' OE1' ' HG3' ' A' ' 65' ' ' LYS . 50.0 mt-10 -72.3 -39.7 68.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.604 0.24 . . . . 74.35 111.199 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -75.08 -15.05 60.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.615 0.245 . . . . 75.4 111.545 178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.85 -14.34 62.7 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.921 -0.399 . . . . 73.12 109.921 170.827 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER 70.51 8.67 6.68 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.603 -0.726 . . . . 74.44 110.62 177.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 5.1 m -90.66 77.7 6.32 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.213 0.53 . . . . 72.14 110.911 -176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -165.93 167.75 16.39 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.478 -0.783 . . . . 35.34 109.377 178.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.9 mt -67.6 -41.37 84.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.851 0.357 . . . . 71.54 110.092 177.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -127.37 86.47 58.55 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.121 -0.49 . . . . 73.24 111.011 179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -64.55 121.3 8.84 Favored 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.664 2.243 . . . . 50.3 111.241 176.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.46 ' HG3' ' OE1' ' A' ' 56' ' ' GLU . 22.0 pttp -134.03 155.93 49.12 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.178 -0.464 . . . . 73.1 111.089 -175.099 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.4 t -165.24 101.33 0.74 Allowed 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 108.93 -0.767 . . . . 53.54 108.93 175.583 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 99.6 mt -111.74 12.54 21.05 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.174 -0.466 . . . . 63.32 111.714 -172.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 68' ' ' ARG . 4.6 tpt180 -152.11 127.09 9.68 Favored 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.92 -0.312 . . . . 73.4 110.628 -179.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -128.41 82.25 2.07 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.776 0.798 . . . . 51.34 110.109 176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.62 116.53 31.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.586 -0.733 . . . . 74.14 111.045 -177.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 21.5 ptm -84.26 91.56 7.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.579 0.704 . . . . 51.33 110.572 177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 47.4 t -97.75 120.39 47.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.621 -0.718 . . . . 74.04 109.666 177.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -99.72 170.12 8.78 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.055 0.455 . . . . 71.22 110.984 -177.004 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 C--O 1.244 0.811 0 CA-C-O 118.619 -0.705 . . . . 62.35 109.711 178.53 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.76 0 N-CA-C 111.893 -0.483 . . . . 51.44 111.893 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -149.62 111.37 4.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.277 -0.268 . . . . 75.52 110.277 179.412 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -64.98 101.03 0.46 Allowed 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.733 -0.469 . . . . 75.34 109.733 174.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 84.4 mtp -73.38 91.45 1.75 Allowed 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.949 0.404 . . . . 71.13 111.059 -176.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 m -69.04 144.17 54.1 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.039 -0.528 . . . . 73.33 110.02 177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 13.2 t -91.61 131.12 37.24 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.317 0.58 . . . . 73.13 111.02 -177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -120.31 99.72 48.03 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-N 115.974 -0.557 . . . . 71.44 110.572 179.116 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -83.78 -52.92 0.03 OUTLIER 'Trans proline' 0 N--CA 1.458 -0.598 0 C-N-CA 123.041 2.494 . . . . 72.03 112.513 177.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -88.75 121.8 31.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.038 -0.528 . . . . 74.45 111.476 -173.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -105.8 -10.68 16.58 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.265 -0.643 . . . . 73.42 109.265 173.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -128.19 134.2 49.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.276 -0.874 . . . . 71.44 109.946 -178.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.452 ' OD1' ' HG3' ' A' ' 48' ' ' ARG . 26.8 m-20 -70.44 96.04 1.12 Allowed 'General case' 0 C--N 1.327 -0.379 0 O-C-N 123.39 0.432 . . . . 73.51 110.401 -177.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -82.42 -29.02 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.993 0.425 . . . . 55.12 111.199 -175.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -137.05 -148.92 5.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.699 -0.763 . . . . 51.13 111.795 -178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.82 140.04 34.41 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.786 -0.45 . . . . 53.33 109.786 177.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.824 ' HA ' ' HA ' ' A' ' 30' ' ' PRO . 1.3 p90 -123.6 145.53 48.85 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 116.306 -0.407 . . . . 61.53 110.269 -176.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -117.81 157.11 27.17 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.073 -0.512 . . . . 73.11 109.778 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.858 ' HB ' ' HB3' ' A' ' 43' ' ' HIS . 90.4 t -91.35 97.33 7.12 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-O 121.79 0.805 . . . . 72.22 108.972 173.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.488 HD11 ' HB2' ' A' ' 39' ' ' TRP . 40.6 tp -103.82 153.93 20.17 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-N 114.886 -1.052 . . . . 73.41 109.338 -176.611 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.8 p -143.41 130.26 17.48 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 C-N-CA 120.348 -0.541 . . . . 65.21 110.265 172.099 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.523 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 90.9 m-20 -84.09 150.51 25.52 Favored 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.444 -0.947 . . . . 61.42 108.444 172.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -61.45 -27.09 68.31 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.104 0.478 . . . . 75.41 110.82 -177.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -96.48 6.38 48.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.819 -0.628 . . . . 75.54 111.744 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 3.5 t70 -117.04 -173.0 2.31 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.607 0.241 . . . . 72.21 110.428 -175.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 23.3 pt20 -111.1 -49.79 2.99 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.284 -0.416 . . . . 74.12 110.632 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 p80 -165.96 128.43 1.99 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.457 -0.338 . . . . 71.22 110.572 177.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 m -125.85 104.18 8.18 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.07 0.462 . . . . 70.05 111.119 -177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -73.96 98.74 3.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.764 -0.828 . . . . 62.1 108.764 173.518 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.454 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 71.9 t-105 -115.07 116.07 42.66 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 74.32 110.859 -169.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.824 ' HA ' ' HA ' ' A' ' 16' ' ' PHE . 7.6 Cg_exo -73.0 140.87 32.12 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.836 2.357 . . . . 73.54 111.618 177.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 34.2 m -71.74 -7.33 9.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 121.028 0.442 . . . . 74.32 111.228 -178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 53.0 t80 -67.13 -24.99 65.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.518 -0.765 . . . . 63.22 109.575 176.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -100.19 148.54 24.5 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 115.76 -0.655 . . . . 74.2 109.723 176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -73.18 133.64 44.11 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.859 0.361 . . . . 73.54 111.211 -176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 49.5 mt -87.36 127.87 57.25 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.097 -0.502 . . . . 72.42 111.0 -177.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -74.51 -149.0 0.03 OUTLIER 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.468 2.779 . . . . 52.44 111.777 176.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -131.97 156.05 46.89 Favored 'General case' 0 C--O 1.232 0.167 0 O-C-N 122.182 -0.324 . . . . 62.32 110.274 173.037 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 104.38 29.91 5.2 Favored Glycine 0 C--N 1.33 0.196 0 C-N-CA 120.91 -0.662 . . . . 71.31 111.662 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.488 ' HB2' HD11 ' A' ' 19' ' ' LEU . 45.0 p-90 -129.74 -179.97 5.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.311 0.577 . . . . 75.23 111.912 -171.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -150.0 130.77 14.13 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.062 -0.972 . . . . 71.53 109.372 171.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.455 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 95.3 t -87.69 120.17 36.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.474 -0.565 . . . . 71.24 109.474 176.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.508 HG23 HG12 ' A' ' 18' ' ' VAL . 1.7 m -105.78 -2.08 9.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.507 -0.315 . . . . 63.24 111.814 -176.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.858 ' HB3' ' HB ' ' A' ' 18' ' ' VAL . 34.3 t60 -170.96 139.9 1.49 Allowed 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.684 -0.487 . . . . 72.12 109.684 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -87.97 -153.12 25.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 64.42 112.802 -176.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' H ' ' HG3' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -84.12 98.53 9.95 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 122.604 1.193 . . . . 75.21 111.925 -176.743 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.604 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -137.59 166.07 24.81 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.112 -1.404 . . . . 74.23 108.023 172.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 15.4 m -37.23 127.82 0.99 Allowed 'General case' 0 N--CA 1.472 0.629 0 O-C-N 124.034 0.834 . . . . 75.44 112.3 -173.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.452 ' HG3' ' OD1' ' A' ' 12' ' ' ASP . 0.9 OUTLIER -64.24 -37.47 87.6 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 64.14 110.536 -172.399 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.0 -42.46 90.14 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.017 -0.538 . . . . 71.21 111.098 176.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.89 -36.54 72.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.039 -0.528 . . . . 72.52 110.604 179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.425 ' HB3' HG22 ' A' ' 18' ' ' VAL . 72.8 m -65.52 -43.94 88.48 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.1 -0.5 . . . . 53.12 110.806 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.44 -44.59 96.06 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.862 -0.608 . . . . 71.2 109.977 177.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -62.19 -40.39 95.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.474 -0.33 . . . . 63.52 110.532 179.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -60.09 -50.69 72.72 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.123 -0.489 . . . . 62.33 111.165 178.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 30.4 m -68.71 -35.29 69.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 74.32 111.372 -177.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -72.73 -29.76 63.62 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.232 -0.44 . . . . 74.35 111.846 -179.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -76.61 -15.33 59.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.952 0.406 . . . . 75.4 110.777 174.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -95.53 14.64 22.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.305 0.574 . . . . 73.12 110.042 176.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.3 t90 -88.43 -160.11 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.417 -0.81 . . . . 74.44 109.291 179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 11.2 t -88.1 -5.55 58.4 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 122.086 -0.383 . . . . 72.14 111.58 -177.048 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -99.72 102.3 13.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.113 0.482 . . . . 35.34 110.498 -179.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.1 mt -75.73 126.58 31.28 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.602 -0.726 . . . . 71.54 110.795 -176.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 95.5 mtt180 -131.59 137.16 29.79 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.353 -0.385 . . . . 73.24 110.529 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -62.98 135.83 53.54 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.601 2.2 . . . . 50.3 111.303 175.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -66.22 101.29 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.883 0.373 . . . . 73.1 110.552 179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.5 m -102.66 15.69 28.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.197 0.522 . . . . 53.54 110.711 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 94.3 mt -110.12 124.2 51.1 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.003 -0.544 . . . . 63.32 110.518 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -99.59 106.01 17.94 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 108.795 -0.817 . . . . 73.4 108.795 177.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -173.67 177.16 2.56 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.449 -0.574 . . . . 51.34 109.449 178.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -161.22 4.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.677 -0.238 . . . . 74.14 111.63 -178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 57.6 ttp -115.25 101.37 8.88 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.086 0.469 . . . . 51.33 111.066 -177.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.2 p -167.62 109.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.651 -0.704 . . . . 74.04 109.339 177.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 67.27 85.37 0.14 Allowed 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.614 -0.721 . . . . 71.22 109.477 -173.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.327 -0.844 . . . . 62.35 110.579 -174.726 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.432 ' C ' ' H ' ' A' ' 3' ' ' HIS . . . . . . . . 0 N--CA 1.482 1.758 0 CA-C-O 120.238 -0.201 . . . . 51.44 113.125 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.8 m 72.81 -25.75 0.19 Allowed 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 123.409 0.684 . . . . 75.52 111.397 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.432 ' H ' ' C ' ' A' ' 1' ' ' GLY . 19.0 m170 -105.43 87.1 2.53 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.284 -0.636 . . . . 75.34 109.284 169.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 97.2 mmm -99.92 97.21 8.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.141 -0.481 . . . . 71.13 110.934 -175.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -70.61 102.93 2.38 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.493 -0.558 . . . . 73.33 109.493 173.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.475 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 14.5 p -60.18 137.72 58.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.941 -0.572 . . . . 73.13 111.528 -177.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.884 HD21 ' HB2' ' A' ' 10' ' ' ASP . 34.4 t30 -107.14 99.61 27.95 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 116.24 -0.436 . . . . 71.44 110.233 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 6' ' ' THR . 95.0 Cg_endo -96.58 2.72 1.9 Allowed 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 123.283 2.655 . . . . 72.03 112.096 175.584 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.408 ' CD2' ' HD2' ' A' ' 8' ' ' PRO . 39.4 m-85 -92.65 -63.55 1.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.044 -0.525 . . . . 74.45 110.149 -176.719 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.884 ' HB2' HD21 ' A' ' 7' ' ' ASN . 22.1 m-20 -87.66 168.19 13.22 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.934 -0.575 . . . . 73.42 109.656 178.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -111.93 95.35 5.43 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.258 0.551 . . . . 71.44 111.482 -174.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -87.86 155.54 19.82 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.724 -0.671 . . . . 73.51 109.597 175.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -123.37 163.68 20.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.041 0.448 . . . . 55.12 110.86 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 157.38 -167.53 34.0 Favored Glycine 0 N--CA 1.444 -0.819 0 N-CA-C 111.044 -0.822 . . . . 51.13 111.044 179.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' H ' ' HE2' ' A' ' 32' ' ' PHE . . . -79.47 143.12 35.24 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.928 0.394 . . . . 53.33 110.327 178.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 48' ' ' ARG . 0.6 OUTLIER -131.71 145.56 51.7 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.919 -0.582 . . . . 61.53 110.286 -177.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -114.8 162.25 17.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.882 0.373 . . . . 73.11 110.742 179.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.8 t -90.43 97.18 6.9 Favored 'Isoleucine or valine' 0 C--O 1.237 0.441 0 N-CA-C 108.964 -0.754 . . . . 72.22 108.964 172.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 39' ' ' TRP . 29.9 tp -111.07 129.03 56.04 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.982 -0.554 . . . . 73.41 111.185 -171.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 93.5 t -120.75 143.4 32.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 108.82 -0.807 . . . . 65.21 108.82 174.56 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.913 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 39.4 m-80 -120.33 -168.91 1.71 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.724 0.297 . . . . 61.42 110.513 -177.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.7 p-10 -67.25 -45.02 77.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.123 -0.489 . . . . 75.41 111.224 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -113.87 -7.15 13.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.651 0.263 . . . . 75.54 111.629 175.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.913 ' HB2' ' HB2' ' A' ' 21' ' ' ASN . 15.1 m-20 -92.46 106.01 18.08 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.66 -0.496 . . . . 72.21 109.66 -179.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -66.08 -43.49 87.2 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.5 -0.773 . . . . 74.12 111.772 -169.11 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.774 ' HB2' ' HB ' ' A' ' 55' ' ' VAL . 37.1 p-80 -160.21 128.28 4.69 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.958 0.409 . . . . 71.22 110.688 177.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.7 m -143.42 135.69 27.03 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.066 0.46 . . . . 70.05 111.08 179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.527 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.5 mm? -89.29 102.55 15.22 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.793 -0.817 . . . . 62.1 108.793 172.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 76.3 t-105 -107.41 126.26 30.42 Favored Pre-proline 0 C--N 1.32 -0.7 0 CA-C-N 115.814 -0.63 . . . . 74.32 110.952 -170.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_endo -63.05 131.04 31.0 Favored 'Trans proline' 0 N--CA 1.464 -0.23 0 C-N-CA 122.853 2.369 . . . . 73.54 112.222 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.3 t -63.69 -24.63 36.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.54 -0.755 . . . . 74.32 111.247 -177.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.516 ' HE2' ' H ' ' A' ' 15' ' ' ALA . 95.1 m-85 -86.97 6.45 32.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.94 -0.573 . . . . 63.22 111.251 -178.183 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -107.56 131.63 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.228 -0.442 . . . . 74.2 109.922 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -57.08 127.5 32.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 73.54 111.167 -177.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 28.6 mt -92.8 132.27 31.63 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.841 -0.618 . . . . 72.42 110.228 -176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -70.18 -151.27 0.03 OUTLIER 'Trans proline' 0 CA--C 1.54 0.785 0 C-N-CA 123.688 2.925 . . . . 52.44 112.511 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -128.32 142.63 51.08 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 121.933 -0.48 . . . . 62.32 110.344 173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 110.53 29.9 3.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.728 . . . . 71.31 111.521 -177.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.543 ' HB2' HD11 ' A' ' 19' ' ' LEU . 53.5 p-90 -122.78 172.33 8.52 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.52 0.676 . . . . 75.23 111.905 -173.463 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -148.29 125.5 11.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.069 -0.969 . . . . 71.53 109.129 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.496 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 92.9 t -88.34 110.04 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.917 -0.401 . . . . 71.24 109.917 -179.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.6 t -76.24 -37.84 32.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.057 0.456 . . . . 63.24 110.285 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -153.28 149.9 28.39 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.854 -0.612 . . . . 72.12 110.498 179.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -74.68 -157.3 5.53 Favored Glycine 0 N--CA 1.449 -0.463 0 O-C-N 123.719 0.637 . . . . 64.42 112.522 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.479 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 5.6 pt-20 -77.17 97.77 4.88 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.799 0.809 . . . . 75.21 111.15 -177.201 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.538 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -119.64 166.52 13.07 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 114.477 -1.238 . . . . 74.23 109.148 177.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 20.4 m -37.88 128.21 1.22 Allowed 'General case' 0 N--CA 1.468 0.461 0 O-C-N 123.625 0.578 . . . . 75.44 112.438 -178.184 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.599 HH11 HD21 ' A' ' 52' ' ' LEU . 0.1 OUTLIER -56.4 -46.95 79.9 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.734 -0.667 . . . . 64.14 111.616 -175.249 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.43 -43.5 98.77 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.062 0.458 . . . . 71.21 110.755 -178.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.25 -39.43 93.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.673 -0.694 . . . . 72.52 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.527 ' HB3' HD11 ' A' ' 28' ' ' LEU . 85.4 m -65.19 -44.86 87.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 53.12 111.279 179.476 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.599 HD21 HH11 ' A' ' 48' ' ' ARG . 4.3 mm? -60.04 -47.96 83.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.671 0.272 . . . . 71.2 110.956 176.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -55.76 -46.15 77.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.722 0.772 . . . . 63.52 109.776 178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -60.72 -51.6 68.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.593 -1.185 . . . . 62.33 111.456 -179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.774 ' HB ' ' HB2' ' A' ' 26' ' ' HIS . 32.8 m -67.16 -34.72 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.277 0 N-CA-C 111.762 0.282 . . . . 74.32 111.762 -174.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -71.91 -46.5 57.45 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.553 -0.294 . . . . 74.35 110.622 -179.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 84.9 mttt -70.23 -23.93 63.0 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.743 0.306 . . . . 75.4 111.702 179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -86.65 8.64 21.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.847 0.356 . . . . 73.12 111.061 177.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 38.9 t90 -112.39 -70.83 0.79 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.244 -0.435 . . . . 74.44 110.261 177.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 91.1 m -159.0 129.01 5.73 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.164 -0.68 . . . . 72.14 109.164 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -124.4 171.55 9.84 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.146 0.498 . . . . 35.34 110.882 -175.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.466 ' H ' HD23 ' A' ' 62' ' ' LEU . 2.5 pt? -138.97 18.0 2.64 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.354 -0.839 . . . . 71.54 109.141 176.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 ttt180 -165.94 91.41 0.85 Allowed Pre-proline 0 C--N 1.328 -0.369 0 CA-C-N 114.996 -1.002 . . . . 73.24 108.975 -175.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -71.99 95.72 0.75 Allowed 'Trans proline' 0 C--O 1.235 0.344 0 C-N-CA 123.078 2.519 . . . . 50.3 113.067 -172.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.3 tptp -88.06 120.26 29.23 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 108.771 -0.826 . . . . 73.1 108.771 173.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.9 m -53.08 110.67 0.56 Allowed 'General case' 0 C--N 1.33 -0.283 0 O-C-N 123.48 0.487 . . . . 53.54 111.234 -177.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.771 ' H ' HD23 ' A' ' 67' ' ' LEU . 1.9 pt? -107.63 107.63 18.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.31 0.576 . . . . 63.32 110.913 -177.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 68' ' ' ARG . 20.2 ttm-85 -147.24 113.54 5.91 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 73.4 109.849 176.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -137.47 178.63 6.95 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 108.739 -0.838 . . . . 51.34 108.739 -179.183 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -71.42 96.37 1.47 Allowed 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.962 -0.385 . . . . 74.14 109.962 178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 23.1 ptp -103.21 -15.53 15.98 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.968 -0.56 . . . . 51.33 110.845 -177.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 7.4 p -95.65 111.19 25.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.719 0.771 . . . . 74.04 110.861 179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -117.17 168.28 10.44 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.671 -0.695 . . . . 71.22 109.214 173.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.484 -0.77 . . . . 62.35 109.996 179.038 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.824 0 N-CA-C 111.822 -0.511 . . . . 51.44 111.822 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.3 m -84.25 130.43 34.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.607 0.242 . . . . 75.52 110.72 -179.342 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -71.78 83.18 0.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.438 0.637 . . . . 75.34 110.166 175.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 66.3 mtt -123.85 88.52 2.92 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.69 -0.687 . . . . 71.13 109.484 177.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.1 m -68.4 96.84 0.7 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.961 -0.563 . . . . 73.33 110.773 -177.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.438 ' O ' ' HD3' ' A' ' 8' ' ' PRO . 0.8 OUTLIER -160.28 147.8 16.27 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.101 -0.954 . . . . 73.13 109.316 -179.369 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 8' ' ' PRO . 63.7 t30 -105.26 100.14 23.89 Favored Pre-proline 0 C--N 1.322 -0.603 0 N-CA-C 109.502 -0.555 . . . . 71.44 109.502 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.438 ' HD3' ' O ' ' A' ' 6' ' ' THR . 3.1 Cg_endo -86.16 -17.43 3.79 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.956 2.437 . . . . 72.03 113.235 -174.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -113.7 161.66 17.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.202 0.525 . . . . 74.45 111.5 -174.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -125.29 153.88 42.57 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 108.68 -0.859 . . . . 73.42 108.68 175.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.04 91.7 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.241 0.543 . . . . 71.44 110.87 178.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -83.36 154.61 23.96 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.458 -0.941 . . . . 73.51 108.458 173.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.8 m120 -71.24 91.9 0.99 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 121.322 0.582 . . . . 55.12 111.239 -176.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.05 128.96 9.81 Favored Glycine 0 N--CA 1.442 -0.948 0 CA-C-N 115.387 -0.824 . . . . 51.13 111.346 176.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.442 ' HB3' HG11 ' A' ' 31' ' ' VAL . . . -64.47 158.56 23.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.141 0.496 . . . . 53.33 111.303 -177.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.592 ' O ' ' HA ' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -136.3 148.83 48.14 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.64 -0.709 . . . . 61.53 109.38 -177.106 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.539 ' CD2' ' HA2' ' A' ' 44' ' ' GLY . 3.0 m-85 -113.56 158.47 20.74 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-O 120.838 0.351 . . . . 73.11 110.735 -178.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 20.6 t -83.97 97.74 5.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.258 -0.645 . . . . 72.22 109.258 176.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.587 HD11 ' HB2' ' A' ' 39' ' ' TRP . 25.5 tp -108.6 128.31 54.72 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.168 -0.469 . . . . 73.41 110.799 -173.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.8 t -117.35 130.58 72.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 N-CA-C 110.044 -0.354 . . . . 65.21 110.044 175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.735 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 41.5 t30 -99.76 154.57 18.21 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.763 -0.653 . . . . 61.42 109.336 177.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -57.44 -40.74 79.05 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.905 0.383 . . . . 75.41 111.261 -178.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -99.88 25.76 6.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.211 -0.449 . . . . 75.54 110.932 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.735 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 17.4 t70 -134.43 168.03 19.68 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.682 -0.488 . . . . 72.21 109.682 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -108.2 -41.58 4.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 120.964 0.412 . . . . 74.12 110.418 -179.001 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.3 p80 -165.65 127.53 1.99 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 71.22 111.848 -176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 74.7 m -140.95 142.25 34.37 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.949 -0.569 . . . . 70.05 110.912 177.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.754 ' HG ' ' HG2' ' A' ' 48' ' ' ARG . 4.4 mm? -107.53 102.8 12.03 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.339 -0.615 . . . . 62.1 109.339 175.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 30' ' ' PRO . 35.2 t-105 -107.76 130.12 23.24 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.868 -0.605 . . . . 74.32 110.518 -171.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 29' ' ' TRP . 33.1 Cg_exo -58.94 148.76 83.04 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 123.102 2.535 . . . . 73.54 113.16 -178.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.449 HG13 ' HD2' ' A' ' 32' ' ' PHE . 12.8 p -77.11 149.27 6.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.754 -0.657 . . . . 74.32 109.93 178.36 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.449 ' HD2' HG13 ' A' ' 31' ' ' VAL . 84.5 m-85 71.13 5.91 5.64 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.049 0.54 . . . . 63.22 111.245 -178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -91.06 156.66 17.75 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.529 -0.545 . . . . 74.2 109.529 175.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -70.7 136.23 48.86 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.743 0.306 . . . . 73.54 110.409 -177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.86 131.17 24.26 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 116.156 -0.474 . . . . 72.42 109.956 -178.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -69.4 -163.17 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 123.066 2.511 . . . . 52.44 112.459 176.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -104.83 159.81 15.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.463 -0.335 . . . . 62.32 110.671 177.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 84.02 29.49 31.24 Favored Glycine 0 C--N 1.331 0.284 0 C-N-CA 121.285 -0.484 . . . . 71.31 112.082 -179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.587 ' HB2' HD11 ' A' ' 19' ' ' LEU . 68.4 p-90 -104.5 161.86 13.74 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.232 0.539 . . . . 75.23 111.51 -174.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.8 tpt180 -148.77 117.28 6.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.322 -0.854 . . . . 71.53 109.495 173.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.461 HG23 ' CZ3' ' A' ' 39' ' ' TRP . 97.6 t -84.09 118.23 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.458 -0.337 . . . . 71.24 110.234 178.152 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 t -80.12 -36.84 17.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.275 0.56 . . . . 63.24 110.271 -179.331 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -161.33 155.56 22.67 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.058 -0.719 . . . . 72.12 109.058 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.539 ' HA2' ' CD2' ' A' ' 17' ' ' PHE . . . -69.12 -132.0 0.06 OUTLIER Glycine 0 C--N 1.334 0.441 0 O-C-N 123.382 0.426 . . . . 64.42 113.274 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.592 ' HA ' ' O ' ' A' ' 16' ' ' PHE . 0.0 OUTLIER -89.22 97.56 11.27 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 123.042 1.401 . . . . 75.21 110.95 -173.837 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -120.47 152.85 37.44 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 113.249 -1.796 . . . . 74.23 109.14 173.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.4 m -46.34 128.39 9.84 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.698 0.623 . . . . 75.44 111.585 -176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.754 ' HG2' ' HG ' ' A' ' 28' ' ' LEU . 4.8 tmm_? -58.79 -37.93 77.42 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.526 -0.761 . . . . 64.14 110.853 -172.678 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -44.66 89.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.31 -0.405 . . . . 71.21 111.046 178.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.3 -33.05 75.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.366 -0.379 . . . . 72.52 111.15 178.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.438 ' CB ' HD11 ' A' ' 28' ' ' LEU . 67.0 m -66.61 -46.37 76.09 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.327 -0.397 . . . . 53.12 110.469 176.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 67.4 mt -58.02 -45.15 87.39 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.357 -0.383 . . . . 71.2 110.207 173.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -55.51 -48.03 75.3 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.14 -0.482 . . . . 63.52 110.58 176.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.447 ' OH ' ' HE2' ' A' ' 65' ' ' LYS . 19.2 t80 -57.07 -51.8 67.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.793 -0.64 . . . . 62.33 111.726 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 32.6 m -68.19 -39.52 81.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 C-N-CA 120.703 -0.399 . . . . 74.32 111.355 -174.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -72.29 -30.66 65.03 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.432 -0.349 . . . . 74.35 111.472 -177.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.5 mttp -68.5 -25.52 65.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.846 0.355 . . . . 75.4 111.332 176.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -92.6 -42.22 9.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.562 -0.29 . . . . 73.12 110.959 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 86.6 t90 73.47 -47.92 0.67 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.602 0.761 . . . . 74.44 112.213 175.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 12.3 t -74.14 148.48 41.71 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.993 0.425 . . . . 72.14 111.171 -177.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -73.86 -28.05 61.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.66 -0.7 . . . . 35.34 111.127 -176.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 44.7 tp -106.62 108.08 19.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.121 -0.491 . . . . 71.54 110.712 -175.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -127.74 98.91 27.08 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 115.74 -0.663 . . . . 73.24 109.611 176.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 12.0 Cg_exo -69.48 119.24 6.23 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.897 2.398 . . . . 50.3 112.386 -176.435 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.447 ' HE2' ' OH ' ' A' ' 54' ' ' TYR . 63.4 mttm -118.33 87.35 2.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.001 -0.545 . . . . 73.1 110.247 175.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.5 m -107.4 99.27 8.8 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.939 -0.573 . . . . 53.54 110.17 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -137.09 -57.9 0.71 Allowed 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.075 -0.511 . . . . 63.32 109.623 -178.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 tpp180 -159.17 86.96 0.83 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.784 -0.644 . . . . 73.4 109.772 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -105.15 99.34 8.96 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.477 -0.564 . . . . 51.34 109.477 -178.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.38 172.77 17.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.969 -0.56 . . . . 74.14 110.177 -178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.2 mtm -85.18 104.68 15.27 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 109.81 -0.441 . . . . 51.33 109.81 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 60.5 t -76.43 -55.38 11.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.989 -0.551 . . . . 74.04 110.218 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -99.75 131.5 45.69 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.386 177.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 . . . . . 0 C--O 1.245 0.843 0 CA-C-O 118.413 -0.803 . . . . 62.35 109.588 175.348 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.901 0 N-CA-C 111.769 -0.532 . . . . 51.44 111.769 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m -101.41 119.29 38.53 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.184 -0.302 . . . . 75.52 110.184 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.74 ' HB3' ' HB3' ' A' ' 36' ' ' PRO . 21.0 t-80 -95.86 82.79 3.59 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.225 0.535 . . . . 75.34 109.771 177.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.31 123.07 28.21 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.59 -0.732 . . . . 71.13 110.578 -179.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.0 m -89.79 116.51 27.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.998 -0.546 . . . . 73.33 109.885 177.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 21.9 p -72.56 96.34 1.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.922 0.391 . . . . 73.13 111.128 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -100.32 118.69 60.77 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.815 -0.629 . . . . 71.44 109.918 177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 23.3 Cg_exo -65.13 -19.39 63.01 Favored 'Trans proline' 0 C--O 1.234 0.298 0 C-N-CA 123.047 2.498 . . . . 72.03 112.574 179.67 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -95.96 169.44 9.98 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.22 -0.445 . . . . 74.45 110.572 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -114.83 -13.11 12.02 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.342 0.592 . . . . 73.42 110.634 -177.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -105.18 167.83 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.542 -0.753 . . . . 71.44 111.848 -175.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.464 ' OD1' ' HB3' ' A' ' 30' ' ' PRO . 2.6 t70 -102.28 151.67 21.96 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.523 -0.762 . . . . 73.51 111.146 -178.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -102.81 -23.67 13.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.002 -0.544 . . . . 55.12 111.383 -176.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -127.21 -83.45 0.44 Allowed Glycine 0 CA--C 1.507 -0.443 0 C-N-CA 120.473 -0.87 . . . . 51.13 113.048 -172.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -141.6 149.48 40.78 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-N 115.034 -0.583 . . . . 53.33 109.987 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.572 ' HE1' ' O ' ' A' ' 46' ' ' ALA . 1.2 p90 -119.42 145.51 46.18 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.7 0.286 . . . . 61.53 110.832 -176.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.41 ' CE1' ' HG3' ' A' ' 45' ' ' GLU . 3.7 m-85 -119.79 157.03 29.46 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.182 -0.463 . . . . 73.11 110.309 178.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.2 t -89.32 102.12 12.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.344 -0.613 . . . . 72.22 109.344 174.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.546 HD11 ' HB2' ' A' ' 39' ' ' TRP . 12.4 tp -110.02 138.83 45.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.791 -0.641 . . . . 73.41 110.597 -173.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.613 ' HB ' ' HB3' ' A' ' 40' ' ' ARG . 93.3 t -108.7 140.39 27.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 115.883 -0.599 . . . . 65.21 109.593 173.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.469 ' HB3' ' HB3' ' A' ' 24' ' ' ASP . 26.8 t-20 -103.76 159.63 15.47 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.095 -0.502 . . . . 61.42 110.207 -177.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -49.64 -45.65 48.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 75.41 112.167 178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -114.09 -7.11 13.08 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.612 0.597 . . . . 75.54 112.612 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.469 ' HB3' ' HB3' ' A' ' 21' ' ' ASN . 11.4 t70 -111.05 151.97 27.42 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.236 -0.585 . . . . 72.21 110.844 -176.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.481 ' HG2' ' HG ' ' A' ' 62' ' ' LEU . 69.6 mt-30 -72.54 -52.28 16.3 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.005 -0.543 . . . . 74.12 112.163 -171.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 23.3 p-80 -157.35 139.03 14.03 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.99 0.424 . . . . 71.22 111.798 -173.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 45.0 m -147.3 132.23 18.12 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.096 -0.502 . . . . 70.05 110.287 175.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.525 HD11 ' HB3' ' A' ' 51' ' ' CYS . 4.6 mm? -82.36 111.37 18.35 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.176 -0.676 . . . . 62.1 109.176 174.33 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 75.2 t-105 -107.36 116.07 58.6 Favored Pre-proline 0 C--N 1.318 -0.78 0 CA-C-N 115.895 -0.593 . . . . 74.32 110.558 -171.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.464 ' HB3' ' OD1' ' A' ' 12' ' ' ASP . 13.7 Cg_exo -70.05 139.22 38.7 Favored 'Trans proline' 0 N--CA 1.459 -0.553 0 C-N-CA 122.683 2.256 . . . . 73.54 112.106 177.807 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 22.0 m -71.68 -2.57 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.235 0.541 . . . . 74.32 110.48 177.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -64.83 -25.84 68.08 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 115.455 -0.793 . . . . 63.22 109.977 175.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -111.04 158.03 19.28 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.965 -0.562 . . . . 74.2 110.073 178.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -75.66 143.49 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.121 0.486 . . . . 73.54 111.206 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.8 mt -82.35 115.33 57.29 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.861 -0.609 . . . . 72.42 109.535 176.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.74 ' HB3' ' HB3' ' A' ' 3' ' ' HIS . 67.2 Cg_endo -83.65 -105.47 0.0 OUTLIER 'Trans proline' 0 CA--C 1.539 0.748 0 C-N-CA 122.911 2.407 . . . . 52.44 113.802 -171.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.77 161.55 42.02 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 110.122 -0.325 . . . . 62.32 110.122 -176.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 68.93 29.65 72.45 Favored Glycine 0 N--CA 1.452 -0.271 0 N-CA-C 110.966 -0.854 . . . . 71.31 110.966 -176.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TRP . . . . . 0.546 ' HB2' HD11 ' A' ' 19' ' ' LEU . 65.6 p-90 -105.97 148.05 28.13 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.103 -0.549 . . . . 75.23 111.082 -175.126 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.613 ' HB3' ' HB ' ' A' ' 20' ' ' VAL . 42.2 ttt-85 -135.45 114.22 11.92 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.836 -0.62 . . . . 71.53 109.445 176.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 66.9 t -86.81 113.0 23.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.76 0.314 . . . . 71.24 110.198 -179.181 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.0 t -92.21 -33.66 5.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.174 0.511 . . . . 63.24 110.697 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.508 ' HE1' ' HB3' ' A' ' 46' ' ' ALA . 39.9 t-80 -152.49 145.58 24.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.082 -0.508 . . . . 72.12 109.985 -176.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -85.68 -151.53 16.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.865 -0.683 . . . . 64.42 112.601 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.41 ' HG3' ' CE1' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -88.98 98.02 11.53 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 122.886 1.327 . . . . 75.21 111.614 -173.236 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.572 ' O ' ' HE1' ' A' ' 16' ' ' PHE . . . -135.49 166.32 23.46 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-N 112.842 -1.981 . . . . 74.23 108.333 174.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.4 m -31.48 127.75 0.19 Allowed 'General case' 0 N--CA 1.469 0.52 0 O-C-N 124.343 1.027 . . . . 75.44 113.086 -173.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . 0.517 ' HB2' ' CZ ' ' A' ' 16' ' ' PHE . 2.3 tmm_? -64.04 -37.17 86.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.543 -0.753 . . . . 64.14 110.712 -173.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.89 -36.36 84.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.151 -0.477 . . . . 71.21 110.599 178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -70.0 -41.54 74.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.539 . . . . 72.52 110.676 178.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.525 ' HB3' HD11 ' A' ' 28' ' ' LEU . 72.8 m -62.53 -50.99 69.18 Favored 'General case' 0 C--O 1.238 0.462 0 CA-C-N 116.096 -0.502 . . . . 53.12 110.937 177.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.435 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 6.8 mp -54.73 -49.43 70.78 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-N 116.029 -0.532 . . . . 71.2 111.238 176.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -61.2 -41.9 97.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.169 0.509 . . . . 63.52 110.641 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -58.88 -45.65 89.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.429 -0.805 . . . . 62.33 110.668 179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 33.9 m -73.26 -34.47 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 120.603 -0.439 . . . . 74.32 111.362 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 45.5 mt-10 -67.35 -29.5 69.06 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 111.682 0.253 . . . . 74.35 111.682 179.06 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -85.52 -14.85 44.65 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.249 0.833 . . . . 75.4 113.249 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.5 m-80 -112.15 15.14 20.63 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 114.735 1.383 . . . . 73.12 114.735 -167.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.533 ' HA ' HD23 ' A' ' 62' ' ' LEU . 62.8 p-90 -74.53 6.74 3.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 118.504 0.593 . . . . 74.44 111.361 175.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 m -54.78 -34.06 62.18 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 123.173 0.589 . . . . 72.14 112.493 -175.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -82.28 -6.62 59.37 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.001 0.371 . . . . 35.34 112.001 -175.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.533 HD23 ' HA ' ' A' ' 59' ' ' TRP . 3.7 mm? -88.03 -72.21 0.54 Allowed 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 121.118 -0.233 . . . . 71.54 111.137 -177.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HA ' ' HD3' ' A' ' 64' ' ' PRO . 23.1 ttp180 -163.52 122.12 1.28 Allowed Pre-proline 0 C--N 1.327 -0.378 0 CA-C-O 120.772 0.32 . . . . 73.24 111.008 -179.592 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.486 ' HA ' ' HZ3' ' A' ' 59' ' ' TRP . 4.9 Cg_exo -77.66 173.3 14.36 Favored 'Trans proline' 0 N--CA 1.46 -0.473 0 C-N-CA 123.171 2.581 . . . . 50.3 112.02 177.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? 64.47 3.84 2.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 115.927 -0.579 . . . . 73.1 112.473 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.9 t -104.11 112.22 25.13 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.099 0.476 . . . . 53.54 110.412 -178.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -163.3 -178.83 6.17 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.888 -0.782 . . . . 63.32 108.888 178.281 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -139.47 179.59 6.46 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.102 -0.333 . . . . 73.4 110.102 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.19 154.37 39.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.027 -0.533 . . . . 51.34 111.004 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -122.09 77.4 1.38 Allowed 'General case' 0 C--N 1.319 -0.745 0 N-CA-C 108.091 -1.077 . . . . 74.14 108.091 169.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 42.4 tpp -69.34 145.56 52.87 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.515 -0.766 . . . . 51.33 111.452 -171.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.4 m -87.36 151.94 3.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.591 -0.732 . . . . 74.04 110.276 179.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -94.34 97.11 9.98 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.57 -0.529 . . . . 71.22 109.57 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.0 t70 . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.545 -0.74 . . . . 62.35 109.295 177.711 . . . . . . . . 0 0 . 1 stop_ save_